 Entering Gaussian System, Link 0=g16
 Input=19_methylcyclohexanone_Chair_STD_M11-def2SVPDr.in
 Output=19_methylcyclohexanone_Chair_STD_M11-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            ****
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_def2SVPD/19_methylcyclohexanone_Chair_STD/Gau-42119.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_def2SVPD/19_methylcyclohexanone_Chair_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     42121.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                23-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=19_methylcyclohexanone_Chair_STD_M11-def2SVPDr
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 23 14:34:19 2021, MaxMem= 10737418240 cpu:               2.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "19_methylcyclohexanone_Chair_STD_M11-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.277695000000     -0.308554000000      0.104897000000
  C                                                 1.175743000000      1.198361000000     -0.017190000000
  C                                                -0.229896000000      1.635230000000     -0.460001000000
  C                                                -1.314447000000      1.003685000000      0.413155000000
  C                                                -1.220070000000     -0.528631000000      0.454249000000
  C                                                 0.183893000000     -0.956062000000      0.929807000000
  O                                                 2.160019000000     -0.945956000000     -0.423269000000
  H                                                 1.949005000000      1.548357000000     -0.699939000000
  H                                                 1.382913000000      1.620529000000      0.973456000000
  H                                                -0.380069000000      1.352660000000     -1.504779000000
  H                                                -0.302484000000      2.723979000000     -0.423105000000
  H                                                -2.302821000000      1.300947000000      0.053848000000
  H                                                -1.222375000000      1.391636000000      1.433196000000
  C                                                -1.562572000000     -1.173371000000     -0.890254000000
  H                                                -1.943141000000     -0.891173000000      1.190510000000
  H                                                 0.310624000000     -2.037815000000      0.892211000000
  H                                                 0.321376000000     -0.633428000000      1.968024000000
  H                                                -0.841880000000     -0.909433000000     -1.666448000000
  H                                                -2.551661000000     -0.861028000000     -1.231130000000
  H                                                -1.561715000000     -2.261533000000     -0.807673000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     20 NQM=       20 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          16           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1          12           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           0           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.093368
 Leave Link  101 at Fri Jul 23 14:34:20 2021, MaxMem= 10737418240 cpu:               2.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.277695   -0.308554    0.104897
      2          6           0        1.175743    1.198361   -0.017190
      3          6           0       -0.229896    1.635230   -0.460001
      4          6           0       -1.314447    1.003685    0.413155
      5          6           0       -1.220070   -0.528631    0.454249
      6          6           0        0.183893   -0.956062    0.929807
      7          8           0        2.160019   -0.945956   -0.423269
      8          1           0        1.949005    1.548357   -0.699939
      9          1           0        1.382913    1.620529    0.973456
     10          1           0       -0.380069    1.352660   -1.504779
     11          1           0       -0.302484    2.723979   -0.423105
     12          1           0       -2.302821    1.300947    0.053848
     13          1           0       -1.222375    1.391636    1.433196
     14          6           0       -1.562572   -1.173371   -0.890254
     15          1           0       -1.943141   -0.891173    1.190510
     16          1           0        0.310624   -2.037815    0.892211
     17          1           0        0.321376   -0.633428    1.968024
     18          1           0       -0.841880   -0.909433   -1.666448
     19          1           0       -2.551661   -0.861028   -1.231130
     20          1           0       -1.561715   -2.261533   -0.807673
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.515286   0.000000
     3  C    2.523933   1.537126   0.000000
     4  C    2.921677   2.534589   1.528889   0.000000
     5  C    2.531662   2.990765   2.549234   1.535770   0.000000
     6  C    1.515304   2.553842   2.969441   2.520429   1.542713
     7  O    1.209850   2.394117   3.517892   4.070948   3.516987
     8  H    2.132261   1.089301   2.193793   3.490811   3.960942
     9  H    2.118213   1.096597   2.157816   2.823152   3.415258
    10  H    2.845851   2.158073   1.092684   2.161786   2.843000
    11  H    3.460059   2.162737   1.091790   2.163980   3.491588
    12  H    3.925964   3.480801   2.161667   1.092863   2.163337
    13  H    3.302329   2.809261   2.151406   1.095202   2.155404
    14  C    3.131350   3.726355   3.138373   2.549512   1.529930
    15  H    3.448447   3.943619   3.470174   2.142434   1.093777
    16  H    2.132002   3.471063   3.951190   3.481533   2.193735
    17  H    2.119276   2.833102   3.368385   2.788131   2.162996
    18  H    2.826892   3.351664   2.881900   2.864976   2.187554
    19  H    4.093185   4.428123   3.495216   2.776963   2.173505
    20  H    3.564991   4.482121   4.132721   3.494740   2.170741
                    6          7          8          9         10
     6  C    0.000000
     7  O    2.394993   0.000000
     8  H    3.470419   2.518466   0.000000
     9  H    2.842248   3.023505   1.768027   0.000000
    10  H    3.402273   3.592401   2.471973   3.053114   0.000000
    11  H    3.950903   4.419541   2.554981   2.451234   1.748300
    12  H    3.470611   5.019278   4.325209   3.812145   2.475675
    13  H    2.782566   4.511251   3.825242   2.655424   3.056582
    14  C    2.531795   3.758654   4.446931   4.467121   2.856009
    15  H    2.143933   4.409445   4.967283   4.173535   3.839605
    16  H    1.089800   2.518513   4.252042   3.813120   4.209268
    17  H    1.095851   3.032584   3.811481   2.682601   4.061641
    18  H    2.791939   3.249342   3.842383   4.280129   2.314405
    19  H    3.487397   4.781190   5.132572   5.147737   3.113055
    20  H    2.787515   3.966083   5.181894   5.187838   3.865829
                   11         12         13         14         15
    11  H    0.000000
    12  H    2.500770   0.000000
    13  H    2.463167   1.754477   0.000000
    14  C    4.122546   2.749827   3.477559   0.000000
    15  H    4.285421   2.495348   2.406162   2.134021   0.000000
    16  H    4.978016   4.322069   3.795245   2.726409   2.546218
    17  H    4.168799   3.780514   2.601940   3.465624   2.408111
    18  H    3.877955   3.159042   3.879109   1.091576   3.061914
    19  H    4.308593   2.527296   3.733648   1.091811   2.497107
    20  H    5.156441   3.739348   4.299103   1.091291   2.452775
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.769122   0.000000
    18  H    3.024607   3.826059   0.000000
    19  H    3.753143   4.305895   1.764992   0.000000
    20  H    2.538761   3.728438   1.756084   1.766557   0.000000
 Stoichiometry    C7H12O
 Framework group  C1[X(C7H12O)]
 Deg. of freedom    54
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.89D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.277695   -0.308554    0.104897
      2          6           0        1.175743    1.198361   -0.017190
      3          6           0       -0.229896    1.635230   -0.460001
      4          6           0       -1.314447    1.003685    0.413155
      5          6           0       -1.220070   -0.528631    0.454249
      6          6           0        0.183893   -0.956062    0.929807
      7          8           0        2.160019   -0.945956   -0.423269
      8          1           0        1.949005    1.548357   -0.699939
      9          1           0        1.382913    1.620529    0.973456
     10          1           0       -0.380069    1.352660   -1.504779
     11          1           0       -0.302484    2.723979   -0.423105
     12          1           0       -2.302821    1.300947    0.053848
     13          1           0       -1.222375    1.391636    1.433196
     14          6           0       -1.562572   -1.173371   -0.890254
     15          1           0       -1.943141   -0.891173    1.190510
     16          1           0        0.310624   -2.037815    0.892211
     17          1           0        0.321376   -0.633428    1.968024
     18          1           0       -0.841880   -0.909433   -1.666448
     19          1           0       -2.551661   -0.861028   -1.231130
     20          1           0       -1.561715   -2.261533   -0.807673
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.7433685           1.9933769           1.4701036
 Leave Link  202 at Fri Jul 23 14:34:20 2021, MaxMem= 10737418240 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     11     12     13     15     16     17     18
 Centers:      19     20
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6     14
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   275 symmetry adapted cartesian basis functions of A   symmetry.
 There are   259 symmetry adapted basis functions of A   symmetry.
   259 basis functions,   379 primitive gaussians,   275 cartesian basis functions
    31 alpha electrons       31 beta electrons
       nuclear repulsion energy       394.1249269825 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   20 NActive=   20 NUniq=   20 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Fri Jul 23 14:34:21 2021, MaxMem= 10737418240 cpu:              13.9 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   259 RedAO= T EigKep=  5.77D-05  NBF=   259
 NBsUse=   259 1.00D-06 EigRej= -1.00D+00 NBFU=   259
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   275   275   275   275   275 MxSgAt=    20 MxSgA2=    20.
 Leave Link  302 at Fri Jul 23 14:34:22 2021, MaxMem= 10737418240 cpu:               6.2 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 23 14:34:22 2021, MaxMem= 10737418240 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "19_methylcyclohexanone_Chair_STD_M11-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 23 14:34:23 2021, MaxMem= 10737418240 cpu:               5.7 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10737259776 LenY= 10737183710
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -348.728114767090    
 DIIS: error= 5.11D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -348.728114767090     IErMin= 1 ErrMin= 5.11D-03
 ErrMax= 5.11D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.26D-02 BMatP= 1.26D-02
 IDIUse=3 WtCom= 9.49D-01 WtEn= 5.11D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.413 Goal=   None    Shift=    0.000
 GapD=    0.413 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=4.68D-03 MaxDP=1.06D-01              OVMax= 1.83D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  4.67D-03    CP:  9.82D-01
 E= -348.741356317252     Delta-E=       -0.013241550162 Rises=F Damp=F
 DIIS: error= 1.64D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -348.741356317252     IErMin= 2 ErrMin= 1.64D-03
 ErrMax= 1.64D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.74D-04 BMatP= 1.26D-02
 IDIUse=3 WtCom= 9.84D-01 WtEn= 1.64D-02
 Coeff-Com: -0.533D-02 0.101D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.525D-02 0.101D+01
 Gap=     0.400 Goal=   None    Shift=    0.000
 RMSDP=9.31D-04 MaxDP=4.26D-02 DE=-1.32D-02 OVMax= 1.08D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  7.00D-04    CP:  9.85D-01  1.13D+00
 E= -348.741667326234     Delta-E=       -0.000311008982 Rises=F Damp=F
 DIIS: error= 1.55D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -348.741667326234     IErMin= 3 ErrMin= 1.55D-03
 ErrMax= 1.55D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.54D-04 BMatP= 6.74D-04
 IDIUse=3 WtCom= 2.03D-01 WtEn= 7.97D-01
 Coeff-Com: -0.645D-01 0.545D+00 0.519D+00
 Coeff-En:   0.000D+00 0.300D+00 0.700D+00
 Coeff:     -0.131D-01 0.350D+00 0.664D+00
 Gap=     0.391 Goal=   None    Shift=    0.000
 RMSDP=1.96D-04 MaxDP=8.80D-03 DE=-3.11D-04 OVMax= 7.55D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.63D-04    CP:  9.85D-01  1.15D+00  8.93D-01
 E= -348.742034756459     Delta-E=       -0.000367430225 Rises=F Damp=F
 DIIS: error= 9.09D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -348.742034756459     IErMin= 4 ErrMin= 9.09D-04
 ErrMax= 9.09D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.21D-04 BMatP= 6.74D-04
 IDIUse=3 WtCom= 9.91D-01 WtEn= 9.09D-03
 Coeff-Com: -0.164D-01 0.357D-02 0.364D+00 0.648D+00
 Coeff-En:   0.000D+00 0.000D+00 0.230D+00 0.770D+00
 Coeff:     -0.162D-01 0.354D-02 0.363D+00 0.650D+00
 Gap=     0.393 Goal=   None    Shift=    0.000
 RMSDP=1.03D-04 MaxDP=4.94D-03 DE=-3.67D-04 OVMax= 2.74D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  5.12D-05    CP:  9.85D-01  1.15D+00  1.01D+00  8.20D-01
 E= -348.742193031217     Delta-E=       -0.000158274759 Rises=F Damp=F
 DIIS: error= 5.48D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -348.742193031217     IErMin= 5 ErrMin= 5.48D-05
 ErrMax= 5.48D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.51D-06 BMatP= 2.21D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.212D-02-0.510D-01 0.405D-01 0.174D+00 0.835D+00
 Coeff:      0.212D-02-0.510D-01 0.405D-01 0.174D+00 0.835D+00
 Gap=     0.393 Goal=   None    Shift=    0.000
 RMSDP=2.18D-05 MaxDP=6.69D-04 DE=-1.58D-04 OVMax= 3.31D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.57D-05    CP:  9.85D-01  1.15D+00  1.03D+00  8.46D-01  1.09D+00
 E= -348.742194822576     Delta-E=       -0.000001791358 Rises=F Damp=F
 DIIS: error= 1.27D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -348.742194822576     IErMin= 6 ErrMin= 1.27D-05
 ErrMax= 1.27D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.31D-08 BMatP= 1.51D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.120D-02-0.114D-01-0.979D-02 0.563D-02 0.188D+00 0.827D+00
 Coeff:      0.120D-02-0.114D-01-0.979D-02 0.563D-02 0.188D+00 0.827D+00
 Gap=     0.393 Goal=   None    Shift=    0.000
 RMSDP=5.94D-06 MaxDP=1.54D-04 DE=-1.79D-06 OVMax= 7.41D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  4.16D-06    CP:  9.85D-01  1.15D+00  1.03D+00  8.48D-01  1.14D+00
                    CP:  9.99D-01
 E= -348.742194908332     Delta-E=       -0.000000085756 Rises=F Damp=F
 DIIS: error= 1.96D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -348.742194908332     IErMin= 7 ErrMin= 1.96D-06
 ErrMax= 1.96D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.16D-09 BMatP= 6.31D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.227D-04 0.240D-02-0.347D-02-0.110D-01-0.410D-01 0.656D-01
 Coeff-Com:  0.988D+00
 Coeff:     -0.227D-04 0.240D-02-0.347D-02-0.110D-01-0.410D-01 0.656D-01
 Coeff:      0.988D+00
 Gap=     0.393 Goal=   None    Shift=    0.000
 RMSDP=1.69D-06 MaxDP=4.03D-05 DE=-8.58D-08 OVMax= 2.70D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  9.31D-07    CP:  9.85D-01  1.15D+00  1.03D+00  8.46D-01  1.15D+00
                    CP:  1.06D+00  1.08D+00
 E= -348.742194914647     Delta-E=       -0.000000006315 Rises=F Damp=F
 DIIS: error= 6.60D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -348.742194914647     IErMin= 8 ErrMin= 6.60D-07
 ErrMax= 6.60D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.52D-10 BMatP= 3.16D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.776D-04 0.128D-02-0.296D-03-0.332D-02-0.223D-01-0.385D-01
 Coeff-Com:  0.224D+00 0.839D+00
 Coeff:     -0.776D-04 0.128D-02-0.296D-03-0.332D-02-0.223D-01-0.385D-01
 Coeff:      0.224D+00 0.839D+00
 Gap=     0.393 Goal=   None    Shift=    0.000
 RMSDP=4.27D-07 MaxDP=1.23D-05 DE=-6.31D-09 OVMax= 1.02D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.41D-07    CP:  9.85D-01  1.15D+00  1.03D+00  8.45D-01  1.15D+00
                    CP:  1.07D+00  1.13D+00  1.09D+00
 E= -348.742194915239     Delta-E=       -0.000000000592 Rises=F Damp=F
 DIIS: error= 2.15D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -348.742194915239     IErMin= 9 ErrMin= 2.15D-07
 ErrMax= 2.15D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.70D-11 BMatP= 3.52D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.196D-04 0.135D-03 0.269D-03 0.120D-03-0.185D-02-0.140D-01
 Coeff-Com: -0.338D-01 0.204D+00 0.845D+00
 Coeff:     -0.196D-04 0.135D-03 0.269D-03 0.120D-03-0.185D-02-0.140D-01
 Coeff:     -0.338D-01 0.204D+00 0.845D+00
 Gap=     0.393 Goal=   None    Shift=    0.000
 RMSDP=1.13D-07 MaxDP=4.94D-06 DE=-5.92D-10 OVMax= 4.94D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  7.56D-08    CP:  9.85D-01  1.15D+00  1.03D+00  8.45D-01  1.15D+00
                    CP:  1.07D+00  1.13D+00  1.16D+00  1.14D+00
 E= -348.742194915304     Delta-E=       -0.000000000065 Rises=F Damp=F
 DIIS: error= 1.00D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -348.742194915304     IErMin=10 ErrMin= 1.00D-07
 ErrMax= 1.00D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.07D-12 BMatP= 3.70D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.585D-05-0.119D-03 0.560D-04 0.343D-03 0.209D-02 0.286D-02
 Coeff-Com: -0.272D-01-0.694D-01 0.898D-01 0.100D+01
 Coeff:      0.585D-05-0.119D-03 0.560D-04 0.343D-03 0.209D-02 0.286D-02
 Coeff:     -0.272D-01-0.694D-01 0.898D-01 0.100D+01
 Gap=     0.393 Goal=   None    Shift=    0.000
 RMSDP=4.62D-08 MaxDP=1.79D-06 DE=-6.54D-11 OVMax= 3.60D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  2.97D-08    CP:  9.85D-01  1.15D+00  1.03D+00  8.45D-01  1.15D+00
                    CP:  1.07D+00  1.13D+00  1.17D+00  1.22D+00  1.16D+00
 E= -348.742194915324     Delta-E=       -0.000000000019 Rises=F Damp=F
 DIIS: error= 4.27D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -348.742194915324     IErMin=11 ErrMin= 4.27D-08
 ErrMax= 4.27D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.87D-13 BMatP= 4.07D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.255D-05-0.115D-04-0.445D-04-0.378D-04 0.103D-03 0.180D-02
 Coeff-Com:  0.716D-02-0.242D-01-0.131D+00-0.782D-01 0.122D+01
 Coeff:      0.255D-05-0.115D-04-0.445D-04-0.378D-04 0.103D-03 0.180D-02
 Coeff:      0.716D-02-0.242D-01-0.131D+00-0.782D-01 0.122D+01
 Gap=     0.393 Goal=   None    Shift=    0.000
 RMSDP=2.24D-08 MaxDP=6.27D-07 DE=-1.94D-11 OVMax= 2.55D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.43D-08    CP:  9.85D-01  1.15D+00  1.03D+00  8.45D-01  1.15D+00
                    CP:  1.07D+00  1.13D+00  1.17D+00  1.24D+00  1.30D+00
                    CP:  1.42D+00
 E= -348.742194915329     Delta-E=       -0.000000000005 Rises=F Damp=F
 DIIS: error= 1.78D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -348.742194915329     IErMin=12 ErrMin= 1.78D-08
 ErrMax= 1.78D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.52D-13 BMatP= 7.87D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.135D-05 0.275D-04-0.136D-04-0.787D-04-0.480D-03-0.615D-03
 Coeff-Com:  0.687D-02 0.151D-01-0.299D-01-0.231D+00 0.602D-01 0.118D+01
 Coeff:     -0.135D-05 0.275D-04-0.136D-04-0.787D-04-0.480D-03-0.615D-03
 Coeff:      0.687D-02 0.151D-01-0.299D-01-0.231D+00 0.602D-01 0.118D+01
 Gap=     0.393 Goal=   None    Shift=    0.000
 RMSDP=1.32D-08 MaxDP=7.80D-07 DE=-5.23D-12 OVMax= 1.40D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  5.41D-09    CP:  9.85D-01  1.15D+00  1.03D+00  8.45D-01  1.15D+00
                    CP:  1.07D+00  1.13D+00  1.17D+00  1.23D+00  1.32D+00
                    CP:  1.70D+00  1.55D+00
 E= -348.742194915326     Delta-E=        0.000000000003 Rises=F Damp=F
 DIIS: error= 4.73D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -348.742194915329     IErMin=13 ErrMin= 4.73D-09
 ErrMax= 4.73D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.13D-14 BMatP= 1.52D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.604D-06 0.782D-05 0.236D-05-0.147D-04-0.124D-03-0.390D-03
 Coeff-Com:  0.598D-03 0.678D-02 0.109D-01-0.434D-01-0.158D+00 0.306D+00
 Coeff-Com:  0.878D+00
 Coeff:     -0.604D-06 0.782D-05 0.236D-05-0.147D-04-0.124D-03-0.390D-03
 Coeff:      0.598D-03 0.678D-02 0.109D-01-0.434D-01-0.158D+00 0.306D+00
 Coeff:      0.878D+00
 Gap=     0.393 Goal=   None    Shift=    0.000
 RMSDP=3.91D-09 MaxDP=2.65D-07 DE= 3.07D-12 OVMax= 3.16D-07

 SCF Done:  E(RM11) =  -348.742194915     A.U. after   13 cycles
            NFock= 13  Conv=0.39D-08     -V/T= 2.0124
 KE= 3.444870070687D+02 PE=-1.596554373661D+03 EE= 5.092002446943D+02
 Leave Link  502 at Fri Jul 23 14:35:42 2021, MaxMem= 10737418240 cpu:            1264.0 elap:              79.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   259
 NBasis=   259 NAE=    31 NBE=    31 NFC=     0 NFV=     0
 NROrb=    259 NOA=    31 NOB=    31 NVA=   228 NVB=   228

 **** Warning!!: The largest alpha MO coefficient is  0.27649295D+02

 Leave Link  801 at Fri Jul 23 14:35:43 2021, MaxMem= 10737418240 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         6052 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.093368
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          20
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.18D-13 8.33D-09 XBig12= 1.00D+00 1.90D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.18D-13 8.33D-09 XBig12= 1.12D-01 6.94D-02.
     11 vectors produced by pass  2 Test12= 1.18D-13 8.33D-09 XBig12= 1.45D-02 1.87D-02.
     11 vectors produced by pass  3 Test12= 1.18D-13 8.33D-09 XBig12= 1.20D-03 5.56D-03.
     11 vectors produced by pass  4 Test12= 1.18D-13 8.33D-09 XBig12= 4.80D-05 1.30D-03.
     11 vectors produced by pass  5 Test12= 1.18D-13 8.33D-09 XBig12= 1.30D-06 2.62D-04.
     11 vectors produced by pass  6 Test12= 1.18D-13 8.33D-09 XBig12= 4.10D-08 3.44D-05.
     11 vectors produced by pass  7 Test12= 1.18D-13 8.33D-09 XBig12= 1.12D-09 4.99D-06.
     11 vectors produced by pass  8 Test12= 1.18D-13 8.33D-09 XBig12= 2.47D-11 6.04D-07.
      9 vectors produced by pass  9 Test12= 1.18D-13 8.33D-09 XBig12= 4.78D-13 8.45D-08.
      3 vectors produced by pass 10 Test12= 1.18D-13 8.33D-09 XBig12= 9.56D-15 1.23D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.13D-14
 Solved reduced A of dimension   111 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.093368:
                1             2             3 
      1  0.903686D+02
      2 -0.157117D+01  0.878161D+02
      3 -0.228192D+01  0.559923D+00  0.766277D+02
 Isotropic polarizability for W=    0.093368       84.94 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.283389D+02 -0.196085D+02 -0.256852D+02
      2   0.162800D+02  0.203841D+02  0.143296D+01
      3   0.120589D+02 -0.775553D+00  0.242522D+02
      4  -0.340659D+01 -0.231911D+02 -0.867371D+00
      5  -0.229474D+02 -0.959754D+00 -0.341136D+02
      6   0.968568D+00 -0.314305D+01  0.875645D+01
 Dipole-magnetic dipole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.969489D+00  0.356338D+01 -0.361439D+01
      2  -0.117809D+02  0.340736D+00 -0.167110D+02
      3   0.110570D+02  0.124997D+02  0.738908D+00
 DQ contribution to OR G for W=    0.093368:
                 1             2             3 
      1  -0.923828D-01 -0.457601D+01 -0.953200D+01
      2  -0.273778D+01 -0.183594D+01 -0.461726D+02
      3   0.162019D+02  0.394710D+02  0.192832D+01
 Optical Rotation G' tensor for W=    0.093368:
                 1             2             3 
      1   0.516726D+00  0.114016D+01 -0.102690D+01
      2   0.114016D+01 -0.574276D+00  0.215116D+00
      3  -0.102690D+01  0.215116D+00  0.167704D+00
 OR G Eigenvalues:    -1.6263     0.0700     1.6664  Iso=    -0.0367
 Eigenvectors:
   (1)  -0.574114   0.706760  -0.413381
   (2)   0.200813   0.611001   0.765736
   (3)   0.793768   0.356607  -0.492710
 w=    0.093368 a.u., Optical Rotation Beta=     -0.0367 au.
 Molar Mass =    112.1712 grams/mole, [Alpha] ( 4880.0 A) =      -18.45 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   33670 ScalPx= 2.12D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   33670 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 7.53D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.96D-14 2.78D-09 XBig12= 1.00D+00 3.47D-01.
     30 vectors produced by pass  1 Test12= 1.96D-14 2.78D-09 XBig12= 6.26D-02 2.77D-02.
     30 vectors produced by pass  2 Test12= 1.96D-14 2.78D-09 XBig12= 2.60D-03 5.87D-03.
     30 vectors produced by pass  3 Test12= 1.96D-14 2.78D-09 XBig12= 3.68D-05 7.87D-04.
     30 vectors produced by pass  4 Test12= 1.96D-14 2.78D-09 XBig12= 5.41D-07 6.63D-05.
     30 vectors produced by pass  5 Test12= 1.96D-14 2.78D-09 XBig12= 5.55D-09 9.00D-06.
     30 vectors produced by pass  6 Test12= 1.96D-14 2.78D-09 XBig12= 4.48D-11 6.94D-07.
     30 vectors produced by pass  7 Test12= 1.96D-14 2.78D-09 XBig12= 3.24D-13 4.81D-08.
      3 vectors produced by pass  8 Test12= 1.96D-14 2.78D-09 XBig12= 2.68D-15 4.01D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   243 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   33670 ScalPx= 1.05D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   33670 ScalPx= 1.05D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   33670 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 4.91D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.903686D+02 -0.157117D+01 -0.228192D+01
      2  -0.157117D+01  0.878161D+02  0.559923D+00
      3  -0.228192D+01  0.559923D+00  0.766277D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.969489D+00  0.356338D+01 -0.361439D+01
      2  -0.117809D+02  0.340736D+00 -0.167110D+02
      3   0.110570D+02  0.124997D+02  0.738908D+00
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.283389D+02 -0.196085D+02 -0.256852D+02
      2   0.162800D+02  0.203841D+02  0.143296D+01
      3   0.120589D+02 -0.775553D+00  0.242522D+02
      4  -0.340659D+01 -0.231911D+02 -0.867371D+00
      5  -0.229474D+02 -0.959754D+00 -0.341136D+02
      6   0.968568D+00 -0.314305D+01  0.875645D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.374642D+01  0.441236D+01  0.802938D+00  0.442895D+01 -0.164018D+01
      2   0.441236D+01 -0.187304D+00 -0.227465D+01 -0.164018D+01 -0.259817D+01
      3   0.802938D+00 -0.227465D+01  0.362897D+00 -0.189653D+01  0.154624D+01
                 6             7             8             9            10 
      1  -0.189653D+01  0.166816D+01 -0.251592D+01 -0.647703D-01  0.419644D+00
      2   0.154624D+01 -0.251592D+01  0.896893D+00  0.193971D+01 -0.395983D+01
      3   0.168954D+01 -0.647703D-01  0.193971D+01  0.117632D+01  0.262613D+01
                11            12            13            14            15 
      1  -0.395983D+01  0.262613D+01 -0.375260D+01  0.474573D+00  0.655953D+00
      2  -0.602295D+00  0.506351D+00  0.474573D+00  0.276006D+01 -0.145343D+01
      3   0.506351D+00 -0.269467D+01  0.655953D+00 -0.145343D+01 -0.248074D+01
                16            17            18            19            20 
      1   0.405880D+01  0.390883D+00 -0.315733D+01 -0.306267D+01  0.335020D+01
      2   0.390883D+00 -0.151339D+01 -0.354694D+01  0.335020D+01 -0.195789D+00
      3  -0.315733D+01 -0.354694D+01 -0.310688D+01 -0.192736D+01 -0.154817D+00
                21            22            23            24            25 
      1  -0.192736D+01  0.225210D+01  0.835598D+00 -0.100683D+00 -0.223330D+01
      2  -0.154817D+00  0.835598D+00 -0.830384D+01  0.492082D+00  0.252536D-01
      3   0.172649D+01 -0.100683D+00  0.492082D+00  0.200196D+01  0.185205D+01
                26            27            28            29            30 
      1   0.252536D-01  0.185205D+01  0.597784D+01 -0.362489D+01  0.287891D+01
      2  -0.477440D+00  0.205971D+01 -0.362489D+01  0.162606D+00 -0.432179D-01
      3   0.205971D+01  0.594152D+01  0.287891D+01 -0.432179D-01 -0.884440D+00
                31            32            33            34            35 
      1  -0.345726D+01 -0.174237D+00  0.859534D-01  0.399135D+01 -0.221151D+00
      2  -0.174237D+00  0.444335D+01 -0.359619D+00 -0.221151D+00 -0.723477D+00
      3   0.859534D-01 -0.359619D+00 -0.286701D+01 -0.590719D+00 -0.363060D+01
                36            37            38            39            40 
      1  -0.590719D+00 -0.384800D+01  0.310030D+01 -0.381582D+01  0.409203D+01
      2  -0.363060D+01  0.310030D+01  0.116605D+01 -0.652657D-01  0.806077D+00
      3  -0.570226D+01 -0.381582D+01 -0.652657D-01  0.282138D+01 -0.140067D+00
                41            42            43            44            45 
      1   0.806077D+00 -0.140067D+00 -0.482019D+01 -0.171556D+00  0.345032D+01
      2  -0.505249D+01  0.148151D-01 -0.171556D+00  0.267542D+00  0.373038D+01
      3   0.148151D-01  0.330918D+01  0.345032D+01  0.373038D+01  0.109464D+01
                46            47            48            49            50 
      1   0.454433D+01 -0.286000D+01  0.179095D+01 -0.197127D+01 -0.165140D+01
      2  -0.286000D+01 -0.169760D+01  0.609856D+00 -0.165140D+01  0.724744D+01
      3   0.179095D+01  0.609856D+00 -0.140287D+01  0.275268D+00 -0.265250D+00
                51            52            53            54            55 
      1   0.275268D+00  0.146528D+01  0.248257D+00 -0.671559D+00  0.112195D+02
      2  -0.265250D+00  0.248257D+00  0.599885D+00 -0.225908D+01 -0.473335D+01
      3  -0.277278D+01 -0.671559D+00 -0.225908D+01 -0.560160D+01 -0.264312D+01
                56            57            58            59            60 
      1  -0.473335D+01 -0.264312D+01 -0.486647D+01  0.447655D+01  0.141770D+01
      2   0.276718D+01  0.130703D+01  0.447655D+01 -0.440962D+01 -0.198027D+01
      3   0.130703D+01  0.157776D+01  0.141770D+01 -0.198027D+01 -0.163750D+01
                61            62            63            64            65 
      1  -0.363577D+01  0.198776D+01  0.332660D+01  0.570911D+01  0.249622D+01
      2   0.198776D+01 -0.172770D+01 -0.265366D+01  0.249622D+01  0.206413D+01
      3   0.332660D+01 -0.265366D+01 -0.333508D+01 -0.241745D+01 -0.980046D+00
                66            67            68            69            70 
      1  -0.241745D+01  0.184473D+01  0.175499D+01 -0.598962D+00 -0.339823D+01
      2  -0.980046D+00  0.175499D+01  0.153024D+01 -0.983412D+00 -0.129345D+01
      3   0.183945D+01 -0.598962D+00 -0.983412D+00  0.102494D+01  0.246736D+01
                71            72            73            74            75 
      1  -0.129345D+01  0.246736D+01  0.859614D+00  0.162565D+01  0.108105D+01
      2  -0.155359D+01  0.176454D+01  0.162565D+01  0.567283D+00  0.528488D+00
      3   0.176454D+01 -0.255678D+01  0.108105D+01  0.528488D+00  0.108056D+01
                76            77            78            79            80 
      1   0.143713D+01  0.727779D+00  0.545122D+00  0.165611D+01  0.780090D+00
      2   0.727779D+00  0.232266D+01  0.198830D+01  0.780090D+00  0.322130D+01
      3   0.545122D+00  0.198830D+01  0.197486D+01  0.200950D+01  0.274861D+01
                81            82            83            84            85 
      1   0.200950D+01 -0.348979D+00 -0.531925D+00 -0.988821D+00 -0.888196D+00
      2   0.274861D+01 -0.531925D+00 -0.266812D+00  0.460926D-01 -0.537688D+00
      3   0.563969D+01 -0.988821D+00  0.460926D-01 -0.831101D+00 -0.225391D+00
                86            87            88            89            90 
      1  -0.537688D+00 -0.225391D+00 -0.146239D+01 -0.121856D+00 -0.122224D+01
      2   0.107125D+00 -0.117648D+01 -0.121856D+00 -0.125780D+01  0.201427D+00
      3  -0.117648D+01 -0.108356D+01 -0.122224D+01  0.201427D+00 -0.790014D+01
                91            92            93            94            95 
      1  -0.104182D+00  0.132198D+01  0.190730D+00  0.142926D+01 -0.927838D+00
      2   0.132198D+01 -0.693168D+00  0.464411D-01 -0.927838D+00  0.124030D+02
      3   0.190730D+00  0.464411D-01 -0.331607D+00  0.828352D-01 -0.117259D+01
                96            97            98            99           100 
      1   0.828352D-01  0.455094D+00 -0.167294D-01 -0.396431D+00 -0.947801D+01
      2  -0.117259D+01 -0.167294D-01  0.612704D-02  0.125525D+01  0.287525D+01
      3   0.890340D+00 -0.396431D+00  0.125525D+01 -0.773503D+00 -0.120973D+01
               101           102           103           104           105 
      1   0.287525D+01 -0.120973D+01  0.225155D+01 -0.208112D+01  0.182520D+00
      2  -0.222298D+01  0.278971D+00 -0.208112D+01  0.120697D+01 -0.389286D+00
      3   0.278971D+00 -0.100946D+01  0.182520D+00 -0.389286D+00  0.676577D+00
               106           107           108           109           110 
      1  -0.235239D+01  0.670717D+00 -0.142129D+01 -0.486798D+00  0.102455D+01
      2   0.670717D+00 -0.861569D+00  0.103021D+01  0.102455D+01  0.253782D+00
      3  -0.142129D+01  0.103021D+01 -0.357516D+00  0.879061D+00  0.153958D-01
               111           112           113           114           115 
      1   0.879061D+00  0.884560D+00 -0.140343D+00 -0.325434D+00  0.102094D+01
      2   0.153958D-01 -0.140343D+00  0.172033D+01  0.212432D+01 -0.265445D+00
      3   0.308410D+00 -0.325434D+00  0.212432D+01  0.231846D+01 -0.839757D+00
               116           117           118           119           120 
      1  -0.265445D+00 -0.839757D+00  0.464731D+01 -0.206487D+01  0.392606D+01
      2   0.269799D+01  0.297954D+01 -0.206487D+01 -0.392276D+00 -0.390053D+00
      3   0.297954D+01  0.769949D+01  0.392606D+01 -0.390053D+00 -0.153376D+01
               121           122           123           124           125 
      1  -0.289896D+01  0.331695D+00 -0.852952D+00  0.359601D+01 -0.504521D+00
      2   0.331695D+00  0.731584D+01 -0.265673D+00 -0.504521D+00 -0.123724D+01
      3  -0.852952D+00 -0.265673D+00 -0.254259D+01 -0.237663D+01 -0.284247D+01
               126           127           128           129           130 
      1  -0.237663D+01 -0.513282D+01 -0.203058D+01  0.321881D+01 -0.197646D+01
      2  -0.284247D+01 -0.203058D+01 -0.167000D+01  0.826429D+00 -0.181117D+01
      3  -0.397278D+00  0.321881D+01  0.826429D+00 -0.292260D+01  0.816449D+00
               131           132           133           134           135 
      1  -0.181117D+01  0.816449D+00  0.344904D+01  0.977743D+00 -0.322506D+01
      2  -0.111461D+01  0.136914D+01  0.977743D+00  0.139957D+01 -0.185678D+01
      3   0.136914D+01 -0.165220D+01 -0.322506D+01 -0.185678D+01  0.426846D+01
               136           137           138           139           140 
      1   0.260569D+00 -0.116217D+01 -0.123197D+00 -0.140899D+01  0.971585D+00
      2  -0.116217D+01  0.105265D+01 -0.281639D+00  0.971585D+00 -0.942426D+01
      3  -0.123197D+00 -0.281639D+00  0.265469D+00 -0.341544D+00  0.141224D+01
               141           142           143           144           145 
      1  -0.341544D+00 -0.399907D+00 -0.390800D-01  0.277972D+00 -0.338501D+00
      2   0.141224D+01 -0.390800D-01 -0.805865D-01 -0.106281D+01  0.559444D+00
      3  -0.119934D+01  0.277972D+00 -0.106281D+01  0.892860D+00  0.121547D+01
               146           147           148           149           150 
      1   0.559444D+00  0.121547D+01  0.120787D+01  0.404549D+00  0.139280D-01
      2   0.238058D+00 -0.121147D+00  0.404549D+00 -0.477256D-01  0.123872D+01
      3  -0.121147D+00  0.108934D+01  0.139280D-01  0.123872D+01  0.170900D+01
               151           152           153           154           155 
      1   0.148941D+01  0.906504D-01  0.884818D+00  0.207496D+01  0.832097D+00
      2   0.906504D-01  0.119456D+01  0.362025D+00  0.832097D+00  0.122571D+01
      3   0.884818D+00  0.362025D+00  0.939942D+01 -0.172069D+01  0.122936D+00
               156           157           158           159           160 
      1  -0.172069D+01  0.919295D+00  0.746152D+00 -0.575705D-01 -0.205011D+01
      2   0.122936D+00  0.746152D+00  0.112806D+00 -0.616989D+00 -0.240645D+00
      3   0.256296D+01 -0.575705D-01 -0.616989D+00  0.893980D+00  0.147590D+01
               161           162           163           164           165 
      1  -0.240645D+00  0.147590D+01 -0.836263D+01  0.403884D+00 -0.327982D+01
      2  -0.916651D+00  0.292823D+00  0.403884D+00 -0.137834D+01 -0.286965D-01
      3   0.292823D+00 -0.461907D+01 -0.327982D+01 -0.286965D-01 -0.222666D+01
               166           167           168           169           170 
      1   0.179268D+01 -0.113341D+01  0.781090D+00 -0.236321D+01  0.179601D+00
      2  -0.113341D+01 -0.259411D-01 -0.420875D+00  0.179601D+00 -0.213174D+00
      3   0.781090D+00 -0.420875D+00  0.104434D+01 -0.188002D+01  0.373292D+00
               171           172           173           174           175 
      1  -0.188002D+01 -0.803899D+00 -0.103432D+01 -0.484098D+00 -0.131996D+01
      2   0.373292D+00 -0.103432D+01 -0.190885D+00  0.515454D-01 -0.143215D+01
      3  -0.177947D+01 -0.484098D+00  0.515454D-01  0.202451D+00 -0.317676D+00
               176           177           178           179           180 
      1  -0.143215D+01 -0.317676D+00 -0.134689D+00  0.393989D-01  0.101290D+00
      2  -0.101932D+02 -0.110197D+01  0.393989D-01  0.278767D+00 -0.885180D+00
      3  -0.110197D+01 -0.129746D+01  0.101290D+00 -0.885180D+00  0.171885D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.846723D+01  0.102576D+02 -0.290783D+01  0.965446D+01 -0.804478D+00
      2  -0.883998D+01 -0.102887D+02 -0.130935D+01 -0.825260D+01  0.133506D+01
      3  -0.537261D+01 -0.866544D+01  0.316986D+01  0.109581D+01 -0.184409D+01
                 6             7             8             9            10 
      1   0.753339D+01 -0.887887D+00  0.158661D+02 -0.514336D+01 -0.765293D+01
      2  -0.969447D+00 -0.112093D+02 -0.312108D+01  0.124520D+02  0.890392D+01
      3  -0.822534D+01  0.234583D+00 -0.111447D+02  0.261438D+01  0.127285D+02
                11            12            13            14            15 
      1  -0.287887D+00  0.329498D+01 -0.330801D+01  0.123564D+01 -0.166785D+01
      2   0.123163D+01 -0.231985D+01  0.257961D+01 -0.248147D+01 -0.249223D+01
      3  -0.820174D+01  0.326199D+01 -0.323274D-01 -0.462229D+01  0.459616D+01
                16            17            18            19            20 
      1   0.316451D+01  0.918849D+01  0.704226D+01  0.533286D+01 -0.181501D+01
      2  -0.823724D+01 -0.443303D+01 -0.606048D+01 -0.139453D+01  0.185641D+01
      3   0.487620D+01  0.273099D+01 -0.845357D+00 -0.811009D+01  0.859908D+01
                21            22            23            24            25 
      1  -0.250704D+01  0.158459D+01  0.218373D+01 -0.703164D+01 -0.293163D+01
      2   0.360047D+00 -0.471186D+00  0.385410D+01 -0.105627D+01 -0.570426D+01
      3  -0.552552D+01  0.979990D+01  0.176124D+01 -0.192759D+01 -0.595492D+01
                26            27            28            29            30 
      1  -0.112270D+01 -0.129372D+02 -0.559534D+01  0.580868D+00  0.921786D+00
      2  -0.136748D+00  0.398255D+00 -0.103048D+02  0.135618D+01  0.273096D+01
      3  -0.131890D+01  0.365153D+01  0.568382D+00 -0.901582D+01  0.387343D+01
                31            32            33            34            35 
      1   0.862383D+00  0.361116D+01  0.145481D+01  0.464509D+00  0.785935D+01
      2   0.162298D+01  0.849489D+00  0.489910D+01 -0.413622D+01  0.586137D+01
      3  -0.216110D+01  0.751340D+01 -0.959539D-01  0.487537D+01 -0.131041D+01
                36            37            38            39            40 
      1   0.541883D+01 -0.746257D+00  0.455536D+00  0.799367D+00  0.139748D+01
      2   0.837973D+01  0.134038D+02 -0.115004D+01  0.197400D+01 -0.622413D+01
      3  -0.591982D+01  0.803993D+01 -0.532574D+01  0.262945D+01 -0.787176D+00
                41            42            43            44            45 
      1  -0.329606D+01 -0.146740D+01 -0.160521D+01  0.656927D+01  0.244499D+01
      2  -0.191608D+01 -0.334137D+01 -0.186773D+01 -0.426816D+01 -0.227317D+01
      3  -0.101881D+02  0.134345D+01  0.522408D+01  0.104143D+01  0.270616D+01
                46            47            48            49            50 
      1  -0.426146D+00 -0.402180D+01 -0.279789D+01 -0.388081D+01  0.852566D+01
      2  -0.839824D+01  0.492035D+01  0.998709D+00  0.598510D+01  0.167583D+01
      3  -0.367262D+01  0.423594D+01 -0.238297D+01  0.110492D+02 -0.218167D+01
                51            52            53            54            55 
      1  -0.902863D+01  0.642203D+00 -0.167856D+01 -0.856854D+01 -0.500737D+01
      2   0.227622D+01 -0.916078D+01  0.115721D+01 -0.260366D+01 -0.241416D+01
      3   0.162549D+01 -0.393406D+01  0.155199D+01  0.894199D+00  0.140593D+01
                56            57            58            59            60 
      1  -0.479430D+01  0.413312D+01 -0.207154D+01  0.197003D+00 -0.746635D+01
      2   0.468492D+01  0.935128D+01  0.406415D+01 -0.346697D+01 -0.330685D+01
      3  -0.770268D+01 -0.972579D+00  0.759459D+00  0.101810D+02  0.389024D+01
                61            62            63            64            65 
      1   0.915524D+00 -0.188388D+01 -0.229513D+00  0.332770D+01  0.127404D+01
      2   0.430259D+01 -0.606659D+00 -0.104181D+02 -0.232694D+01 -0.220550D+01
      3   0.119930D+01  0.826124D+01  0.786144D+00  0.521732D+01 -0.227581D+01
                66            67            68            69            70 
      1  -0.329581D+01  0.139440D+01  0.125885D+01 -0.261077D+01 -0.384154D+01
      2   0.463171D+01 -0.800831D+00 -0.116867D+01  0.200217D+01  0.238918D+01
      3  -0.179406D+01  0.174136D+01  0.658726D+00  0.134304D+00 -0.354034D+01
                71            72            73            74            75 
      1  -0.704490D+00  0.382620D+01 -0.167171D+01 -0.104711D+01 -0.208454D+01
      2   0.248079D+01 -0.475231D+01  0.141216D+01  0.905957D+00  0.299774D+01
      3   0.133687D+01  0.699938D+00 -0.101814D+01  0.111083D+01  0.936431D+00
                76            77            78            79            80 
      1  -0.758252D+00 -0.149413D+01 -0.373836D+01 -0.305428D+01 -0.407984D+01
      2   0.478085D+00  0.223293D+01  0.292231D+01  0.113629D+01  0.549369D+01
      3   0.262531D+01 -0.219833D+01 -0.194600D+01  0.236915D+01 -0.213516D+01
                81            82            83            84            85 
      1  -0.986756D+01  0.225949D+01  0.985148D+00  0.202171D+01  0.143929D+01
      2   0.963862D+01 -0.859438D-01 -0.567996D+00  0.487502D+00 -0.157720D+01
      3  -0.412189D-02 -0.735193D+00 -0.310774D+01 -0.184646D+01 -0.167168D+01
                86            87            88            89            90 
      1   0.382337D+01  0.305274D+01  0.268031D+01  0.428544D+01  0.160307D+02
      2  -0.812687D+00 -0.991611D-01 -0.352212D+01 -0.538699D+00  0.741699D+00
      3  -0.603933D+00 -0.331899D+00 -0.271575D+01 -0.842109D+00 -0.187020D+01
                91            92            93            94            95 
      1  -0.110540D+01  0.484884D+00  0.447891D+00 -0.381763D+00 -0.210676D+01
      2   0.493315D-01  0.386626D+00  0.115324D+01  0.180650D+01 -0.172122D+01
      3   0.228683D+00  0.104859D+01  0.900776D+00  0.679557D+01 -0.521556D-01
                96            97            98            99           100 
      1  -0.399327D+01  0.373528D+00 -0.115295D+01  0.156657D+01  0.333387D+01
      2  -0.268474D+00 -0.188832D+00 -0.655223D+00 -0.273709D+00  0.637036D+01
      3  -0.286959D+00  0.166849D+01 -0.525353D+00 -0.611408D+00 -0.803054D+01
               101           102           103           104           105 
      1  -0.116800D+01  0.215832D+01 -0.132386D+01  0.973409D+00 -0.202266D+01
      2  -0.206818D+01  0.499559D+01 -0.125275D+01  0.151371D+01 -0.187791D+01
      3  -0.360221D+01 -0.101504D+01  0.102970D+01 -0.266886D+00 -0.502152D+00
               106           107           108           109           110 
      1   0.213058D+01 -0.500590D+00  0.119872D+01 -0.501645D-01  0.574139D+00
      2   0.249258D+01 -0.227948D+01  0.181341D+01 -0.893146D+00 -0.746243D+00
      3  -0.256225D+01 -0.163467D+01  0.141647D+00  0.125493D+01  0.107849D+01
               111           112           113           114           115 
      1  -0.675249D+00  0.236292D+00 -0.516332D+00 -0.270171D+01  0.826937D+00
      2  -0.141275D+00 -0.733910D+00 -0.312113D+01 -0.330490D+01 -0.226657D+01
      3   0.910808D+00  0.278419D+01  0.206567D+01  0.274349D+01  0.175465D+01
               116           117           118           119           120 
      1   0.118678D+01 -0.816159D+01  0.913739D+01 -0.154257D+00 -0.261016D+01
      2  -0.422415D+01 -0.114537D+02 -0.277417D+01 -0.763997D+00  0.121551D+02
      3   0.404914D+01  0.324104D+01 -0.110027D+02  0.686361D-01 -0.722579D+01
               121           122           123           124           125 
      1  -0.288525D+01 -0.105092D+02 -0.739099D+01 -0.280736D+01 -0.156580D+01
      2  -0.957763D+00  0.938544D+00  0.409596D+01  0.717239D+01  0.495831D+01
      3   0.710736D+01  0.136320D+02  0.511357D+00 -0.643521D+01 -0.137441D+01
               126           127           128           129           130 
      1   0.368094D+01  0.186077D-01 -0.188844D+01 -0.117527D+01 -0.145416D+01
      2  -0.206984D+01  0.307245D+00  0.341057D+00  0.302616D+01  0.142335D+01
      3  -0.206913D+01  0.927978D+00 -0.320273D+01 -0.136961D+01  0.482756D+00
               131           132           133           134           135 
      1  -0.659545D+00 -0.133529D+01  0.149408D+00  0.170078D+01  0.818564D+00
      2  -0.318273D+00  0.245223D+01 -0.142576D+01  0.194873D+01 -0.368280D+01
      3  -0.790415D+00  0.153912D+01 -0.274704D+01  0.246176D+01 -0.313618D+00
               136           137           138           139           140 
      1  -0.782035D+00  0.633775D+00  0.194730D+00  0.433918D+00 -0.101107D+02
      2  -0.802339D+00  0.101246D+01  0.134246D+01  0.188666D+01 -0.881427D+00
      3  -0.119092D+01 -0.524594D+00  0.702248D+00  0.490039D+01  0.174262D+01
               141           142           143           144           145 
      1  -0.241904D+01  0.662602D+00 -0.333238D+00 -0.374927D+00  0.140974D+01
      2  -0.290176D+00 -0.432642D+00 -0.187864D+00 -0.181910D+00  0.107280D+01
      3   0.249855D+00  0.708841D+00  0.644765D+00  0.696191D-01  0.795469D+00
               146           147           148           149           150 
      1   0.372861D+00  0.250693D+01 -0.390665D+00  0.154441D+01  0.399058D+01
      2  -0.572666D+00 -0.135392D+01 -0.163022D+01 -0.189804D+00 -0.463132D+00
      3  -0.179951D+01 -0.192895D+01 -0.697386D-01 -0.383170D+00 -0.107562D+01
               151           152           153           154           155 
      1   0.838766D+00  0.439275D+01  0.124882D+02 -0.460554D+01 -0.320986D+01
      2  -0.345279D+01  0.320345D+00 -0.190029D+00  0.811259D+01  0.171481D+01
      3  -0.127719D+01 -0.479036D+00 -0.249734D+01 -0.201417D+01 -0.681132D+00
               156           157           158           159           160 
      1   0.402519D+01 -0.202332D+01 -0.277443D+01  0.159316D+01  0.360413D+01
      2  -0.592739D+01  0.218255D+01  0.263840D+01 -0.170621D+01 -0.844954D+01
      3   0.256177D+01  0.720758D+00 -0.767432D+00 -0.901449D+00  0.244657D+01
               161           162           163           164           165 
      1   0.410992D+01 -0.712326D+01 -0.556216D+01  0.250052D+01 -0.280303D+01
      2  -0.160629D+01  0.952420D+01 -0.320851D+01  0.100728D+01  0.332108D+01
      3  -0.411537D+00 -0.199616D+01  0.114754D+02 -0.607868D+01  0.406209D+01
               166           167           168           169           170 
      1   0.199844D+01 -0.101475D+01  0.102486D+01 -0.260106D+01  0.207524D+01
      2   0.760216D+00 -0.170751D+00 -0.173045D+01 -0.132011D+01 -0.692875D+00
      3  -0.351049D+01  0.208743D+01 -0.141733D+01  0.368667D+01 -0.126126D+01
               171           172           173           174           175 
      1  -0.275717D+01 -0.818507D-01  0.267274D+00  0.352787D+00  0.614435D+00
      2   0.211207D+01  0.672522D+00 -0.775341D+00 -0.151214D+00 -0.888619D+00
      3   0.320263D+01 -0.710306D+00  0.114890D+00  0.771186D+00  0.253469D+01
               176           177           178           179           180 
      1   0.965409D+01 -0.409813D+01  0.490723D+00 -0.284714D+00  0.928052D+00
      2   0.121042D+01  0.225858D+01 -0.131308D+01  0.131612D+01  0.381862D-01
      3  -0.165300D+02 -0.106163D+01  0.122874D+00  0.359326D+00 -0.188013D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.222736D+02  0.115836D+02 -0.152131D+01  0.198259D+02 -0.676801D+01
      2   0.838473D+01 -0.356745D+01 -0.360948D+01 -0.139101D+02  0.150005D+00
      3   0.138889D+02 -0.801615D+01  0.513080D+01 -0.591581D+01  0.661801D+01
      4   0.227373D+02 -0.123045D+02 -0.748125D+01 -0.157236D+02  0.879655D+00
      5   0.834171D+01 -0.526543D+01 -0.429167D+01 -0.780586D+01  0.521751D+01
      6  -0.399675D+01  0.710102D+01  0.304734D+01  0.936524D+00 -0.382730D+01
                 6             7             8             9            10 
      1  -0.772986D+01  0.133959D+02 -0.899836D+01 -0.243957D+01  0.114008D+01
      2   0.382681D+01 -0.649676D+01  0.174169D+01 -0.279112D+01 -0.391060D+01
      3   0.390306D+01 -0.689910D+01  0.725667D+01  0.523068D+01  0.277052D+01
      4   0.384491D+01 -0.121398D+02  0.105611D+02  0.925404D+01 -0.936665D+01
      5   0.766832D+01  0.170610D+01  0.486647D+01  0.123063D+02  0.981436D+01
      6  -0.774483D+01  0.327042D+01 -0.289964D+01  0.375990D+00  0.941777D+01
                11            12            13            14            15 
      1  -0.765102D+01  0.886019D+01 -0.750880D+01 -0.291808D+01  0.544636D+01
      2   0.423001D+01 -0.446060D+01  0.462385D+01  0.118830D+02 -0.334011D+01
      3   0.342102D+01 -0.439959D+01  0.288495D+01 -0.896494D+01 -0.210625D+01
      4  -0.971024D+01  0.787619D+01 -0.298093D+01 -0.681910D+00 -0.305076D+01
      5   0.532267D+01 -0.100318D+02  0.416538D+01 -0.193541D+01 -0.885006D+01
      6  -0.139224D+01 -0.762439D+01  0.108431D+01 -0.243701D+01 -0.594215D+01
                16            17            18            19            20 
      1   0.872032D+01  0.817909D+01 -0.327812D-01 -0.614282D+01 -0.150912D+01
      2  -0.422391D+01 -0.471414D+01 -0.179889D+01  0.847645D+01  0.332572D+01
      3  -0.449641D+01 -0.346494D+01  0.183167D+01 -0.233363D+01 -0.181661D+01
      4   0.953917D+01 -0.596688D+01 -0.186559D+02 -0.542225D+01  0.145885D+01
      5  -0.121841D+02 -0.124260D+02 -0.691296D+01  0.188434D+01 -0.136756D+01
      6  -0.985375D+01 -0.136486D+02 -0.129440D+02 -0.780532D+01  0.783734D-01
                21            22            23            24            25 
      1   0.211394D+01 -0.169201D+01  0.264473D+02  0.467976D+00  0.282735D+01
      2   0.122770D+00  0.475263D+01 -0.491148D+02  0.467332D+01  0.755307D+00
      3  -0.223671D+01 -0.306062D+01  0.226675D+02 -0.514130D+01 -0.358266D+01
      4  -0.436750D+01  0.484125D+01  0.103827D+02 -0.116138D+01 -0.479209D+01
      5  -0.105910D+01 -0.337698D+00 -0.705168D+00 -0.826281D+00  0.157313D+00
      6   0.489497D+01 -0.175577D+01  0.758371D+01  0.697643D+01  0.430125D+01
                26            27            28            29            30 
      1   0.857523D+00  0.443359D+01 -0.224070D+02  0.135769D+02 -0.946876D+01
      2  -0.258775D+00  0.123041D+02  0.458104D+01 -0.720754D+01  0.613000D+01
      3  -0.598748D+00 -0.167376D+02  0.178260D+02 -0.636940D+01  0.333876D+01
      4   0.959434D+00  0.266854D+01  0.206416D+02 -0.753401D+01  0.582164D+01
      5  -0.738113D+00 -0.507025D+01 -0.914309D+01  0.426153D+00  0.326182D+01
      6   0.721759D+01  0.165159D+02  0.355459D+01  0.616678D+00 -0.238196D+01
                31            32            33            34            35 
      1   0.104677D+02 -0.275569D+01  0.521431D+01 -0.117167D+02  0.613298D+01
      2  -0.575038D+01  0.887231D+01  0.137775D+01  0.595003D+01  0.316331D+01
      3  -0.471732D+01 -0.611663D+01 -0.659206D+01  0.576666D+01 -0.929628D+01
      4  -0.827243D+01 -0.769390D+01  0.119916D+01  0.921510D+01  0.310796D+01
      5  -0.118577D+00 -0.212474D+01  0.681678D+01  0.135991D+01  0.888704D+01
      6  -0.453369D+00 -0.204476D+01 -0.909565D+01  0.316039D+00 -0.970065D+01
                36            37            38            39            40 
      1   0.109320D+02  0.103936D+01 -0.821561D+01  0.130275D+02 -0.595994D+01
      2  -0.481283D+00  0.189861D+01  0.516522D+01 -0.951540D+01  0.419736D+01
      3  -0.104507D+02 -0.293797D+01  0.305039D+01 -0.351213D+01  0.176257D+01
      4   0.973980D+01 -0.626840D+01 -0.603879D+01  0.627201D+01 -0.740033D+01
      5   0.125739D+02  0.168850D+02  0.564055D+01 -0.145542D+02  0.293134D+01
      6  -0.195318D+02  0.934212D+01  0.520462D+00 -0.602574D+01  0.247536D+01
                41            42            43            44            45 
      1  -0.441698D+01 -0.759158D+00  0.113768D+02  0.195700D+01 -0.100608D+02
      2   0.596337D+01 -0.117147D+01 -0.885250D+01 -0.514962D+01  0.342558D+01
      3  -0.154638D+01  0.193062D+01 -0.252425D+01  0.319262D+01  0.663520D+01
      4   0.671999D+01  0.110741D+01  0.509240D+01 -0.198261D+01 -0.156963D+02
      5   0.371143D+01 -0.102160D+02 -0.157870D+02 -0.128131D+02  0.472692D+01
      6  -0.330113D+00 -0.661722D+01 -0.854218D+01 -0.594668D+01  0.231299D+01
                46            47            48            49            50 
      1  -0.917445D-01 -0.437593D+01  0.250320D+01 -0.170801D+01  0.132780D+02
      2  -0.607342D+00  0.588884D+01  0.359235D+01  0.348845D+01 -0.244640D+02
      3   0.699086D+00 -0.151291D+01 -0.609555D+01 -0.178044D+01  0.111860D+02
      4  -0.652002D+01  0.187385D+01 -0.108037D+01  0.301154D+01  0.772342D+01
      5  -0.305366D+01 -0.107137D+01  0.303890D+01 -0.108597D+01 -0.219742D+01
      6  -0.626647D+01 -0.373486D+01  0.247895D+01 -0.231021D+01  0.940910D+01
                51            52            53            54            55 
      1   0.571078D+01 -0.257853D+01  0.470042D+01  0.157038D+02  0.598899D+02
      2   0.698830D+01  0.213803D+01  0.203435D+01  0.128996D+02 -0.277471D+02
      3  -0.126991D+02  0.440494D+00 -0.673477D+01 -0.286034D+02 -0.321428D+02
      4  -0.285452D+00 -0.586832D+00 -0.444257D+00 -0.369559D+00 -0.346927D+02
      5   0.319650D+00  0.325408D+01 -0.551429D+00 -0.717991D+01 -0.131283D+02
      6   0.480554D+01  0.281194D+00  0.477376D+01  0.337727D+01  0.553429D+01
                56            57            58            59            60 
      1  -0.166169D+02 -0.804925D+01 -0.181881D+02  0.837887D+01  0.173013D+01
      2   0.451175D+01  0.687996D+01  0.490977D+01  0.536149D+01  0.199744D+00
      3   0.121051D+02  0.116929D+01  0.132783D+02 -0.137404D+02 -0.192988D+01
      4   0.260270D+02  0.755249D+01  0.306879D+02 -0.251185D+02 -0.807439D+01
      5   0.561672D+01  0.164073D+02  0.692651D+01 -0.683962D+01 -0.949780D+01
      6  -0.366897D+01 -0.635327D+01 -0.412779D+01  0.795343D+01  0.113689D+02
                61            62            63            64            65 
      1  -0.124408D+02  0.345608D+01  0.515090D+01  0.203807D+02  0.558641D+01
      2   0.940143D+01 -0.661923D+00 -0.846992D+01 -0.837218D+01  0.419069D+00
      3   0.303940D+01 -0.279416D+01  0.331903D+01 -0.120086D+02 -0.600547D+01
      4   0.119288D+02 -0.923399D+01 -0.128045D+02  0.230058D+02  0.152334D+02
      5   0.200976D+02 -0.113895D+02 -0.183478D+02 -0.133996D+02 -0.548412D+01
      6  -0.819942D+01  0.121563D+02  0.771948D+01 -0.768018D+01 -0.401634D+01
                66            67            68            69            70 
      1  -0.693018D+01  0.159481D+01  0.485619D+00  0.551859D+00 -0.789574D+01
      2   0.400218D+01  0.368298D+01  0.424712D+01 -0.263222D+01  0.504072D+01
      3   0.292801D+01 -0.527778D+01 -0.473274D+01  0.208037D+01  0.285501D+01
      4  -0.944328D+01  0.128576D+02  0.109929D+02 -0.552112D+01 -0.128680D+02
      5   0.106136D+02 -0.324713D+01 -0.474811D+01  0.390783D+01  0.129109D+02
      6   0.617679D+01 -0.385479D+01 -0.523598D+01  0.612698D+01  0.815137D+01
                71            72            73            74            75 
      1  -0.844322D+00  0.176353D+01  0.113459D+01  0.322562D+01  0.206606D+01
      2  -0.158442D+01 -0.352504D+01  0.174960D+00 -0.106757D+01 -0.187726D+01
      3   0.242875D+01  0.176151D+01 -0.130955D+01 -0.215805D+01 -0.188803D+00
      4  -0.866363D+01  0.111721D+02  0.748788D+01  0.763791D+01  0.546021D+01
      5   0.755764D+01 -0.120603D+02  0.550544D+01  0.287981D+01  0.760045D+01
      6   0.786477D+01 -0.825311D+01  0.445349D+01  0.282429D+01  0.397494D+01
                76            77            78            79            80 
      1   0.143407D+01 -0.609248D+01 -0.450400D+01  0.255488D+01 -0.678829D+01
      2   0.800401D+00  0.799085D+01  0.513028D+01 -0.234394D+01  0.621963D+01
      3  -0.223447D+01 -0.189837D+01 -0.626277D+00 -0.210940D+00  0.568659D+00
      4   0.689633D+01  0.928620D+01  0.756421D+01  0.770231D+01  0.126373D+02
      5   0.209829D+01  0.619514D+01  0.584324D+01  0.980373D+01  0.982181D+01
      6   0.347735D+01  0.102756D+02  0.111188D+02  0.744939D+01  0.148489D+02
                81            82            83            84            85 
      1  -0.692150D+01  0.147546D+01  0.517182D+00 -0.142283D+00  0.226413D+00
      2  -0.168753D+01 -0.503551D+01 -0.121087D+01 -0.122890D+01 -0.174586D+01
      3   0.860903D+01  0.356004D+01  0.693686D+00  0.137118D+01  0.151945D+01
      4   0.138817D+02 -0.694379D+00  0.175344D+01 -0.209450D+01 -0.319428D+00
      5   0.183176D+02  0.253097D+01  0.574760D+00  0.735625D+01  0.855413D+00
      6   0.217876D+02 -0.184989D+01  0.107467D+01 -0.260299D+01  0.700128D+00
                86            87            88            89            90 
      1  -0.331259D+01  0.373805D+00 -0.132523D+01  0.284356D+01 -0.161812D+02
      2   0.256603D+01 -0.521220D+01 -0.258159D+01 -0.423028D+01 -0.144050D+02
      3   0.746562D+00  0.483840D+01  0.390682D+01  0.138672D+01  0.305862D+02
      4  -0.457795D+00  0.128323D+01 -0.347986D+01  0.177692D+01 -0.182510D+01
      5   0.137860D+01  0.985527D+00  0.544600D+01  0.545551D-01  0.768401D+01
      6  -0.223618D+01  0.839916D+00 -0.310170D+01  0.560810D+01 -0.225288D+02
                91            92            93            94            95 
      1  -0.214137D+01  0.106838D+01 -0.303386D+00  0.242803D+01 -0.423084D+02
      2   0.693309D+01 -0.344164D+01  0.580374D-01 -0.485422D+01  0.756049D+02
      3  -0.479172D+01  0.237326D+01  0.245348D+00  0.242619D+01 -0.332966D+02
      4  -0.192880D+01  0.111051D+02 -0.436224D+00  0.906874D+01 -0.110272D+02
      5   0.430985D-01 -0.165997D+01  0.177010D+01 -0.134315D+01  0.206565D+01
      6  -0.135248D+00  0.436943D+00 -0.856079D+00  0.970336D+00 -0.130310D+02
                96            97            98            99           100 
      1   0.428433D+01 -0.281291D+00  0.717529D+00 -0.554328D+01  0.449332D+02
      2  -0.570092D+01 -0.409139D+00  0.703828D+00  0.557762D+01 -0.184799D+02
      3   0.141659D+01  0.690430D+00 -0.142136D+01 -0.343358D-01 -0.264533D+02
      4   0.916568D+00  0.800303D+00 -0.708770D-01 -0.140620D+01 -0.314207D+02
      5  -0.720823D+00  0.113017D+01 -0.804657D+00  0.657988D+00  0.327691D+01
      6   0.847021D+01 -0.141861D+01  0.999352D+01 -0.298577D+01 -0.929700D+00
               101           102           103           104           105 
      1  -0.104747D+02  0.542520D+01 -0.672516D+01  0.551442D+01 -0.931218D+00
      2   0.865474D+00 -0.219271D+01 -0.156086D+01  0.156157D+01 -0.949884D+00
      3   0.960925D+01 -0.323249D+01  0.828602D+01 -0.707599D+01  0.188110D+01
      4   0.170193D+02 -0.370876D+01  0.164750D+02 -0.105584D+02  0.225009D+01
      5  -0.520562D+00  0.675679D+01 -0.619966D+00  0.156817D+01 -0.232412D+01
      6  -0.127880D+00 -0.265492D+01  0.228780D+00 -0.894295D+00  0.330211D+01
               106           107           108           109           110 
      1   0.888831D+01 -0.235123D+01  0.363068D+01  0.115601D+01 -0.391757D+01
      2  -0.364224D+01 -0.129244D+01 -0.243144D+01 -0.136310D+01  0.247960D+01
      3  -0.524606D+01  0.364367D+01 -0.119923D+01  0.207085D+00  0.143797D+01
      4  -0.790729D+01  0.437616D+01 -0.568383D+01 -0.354403D+01  0.308168D+01
      5   0.847018D+01 -0.389639D+01  0.310304D+01 -0.200001D+01  0.181449D+01
      6  -0.358115D+01  0.368530D+01 -0.641555D+00  0.311271D+01  0.401261D+00
               111           112           113           114           115 
      1  -0.262851D+01 -0.188469D+01 -0.719425D+01 -0.639189D+01 -0.136787D+01
      2   0.138538D+01  0.100044D+01  0.522815D+01  0.363250D+01  0.195473D+01
      3   0.124313D+01  0.884242D+00  0.196610D+01  0.275938D+01 -0.586862D+00
      4   0.258450D+01  0.434589D+01 -0.453951D+01 -0.603929D+01  0.393604D+01
      5   0.447554D+01  0.221993D+01 -0.504259D+01 -0.553329D+01  0.689654D+01
      6   0.147927D+01 -0.151434D+01  0.108575D+02  0.137600D+02 -0.318218D+01
               116           117           118           119           120 
      1  -0.787257D+01 -0.155302D+02 -0.226617D+02  0.815079D+01 -0.223377D+02
      2   0.226092D+01 -0.808775D+01  0.231189D+02 -0.426748D+01  0.684293D+01
      3   0.561165D+01  0.236180D+02 -0.457194D+00 -0.388331D+01  0.154948D+02
      4  -0.791009D+01 -0.100030D+02  0.645851D+00  0.502975D+01 -0.513028D+01
      5  -0.826902D+01 -0.200013D+02 -0.205795D+02  0.434953D+01 -0.403440D+01
      6   0.143130D+02  0.257986D+02 -0.274578D+01  0.254975D+00  0.522949D+01
               121           122           123           124           125 
      1   0.134142D+02  0.140873D+02  0.107632D+01 -0.205489D+02 -0.193162D+01
      2  -0.101862D+02 -0.325756D+02 -0.586083D+01  0.750448D+01 -0.129961D+01
      3  -0.322801D+01  0.184883D+02  0.478451D+01  0.130444D+02  0.323123D+01
      4   0.384344D+01 -0.220137D+02  0.166281D+01 -0.461056D+01  0.438798D+01
      5   0.768289D+01  0.134441D+01  0.721775D+01 -0.182224D+01  0.864517D+01
      6   0.223538D+00 -0.776735D+01  0.676465D+01  0.680834D+01  0.694020D+01
               126           127           128           129           130 
      1   0.335571D+01  0.202005D+02  0.577626D+01 -0.103239D+02  0.434112D+01
      2   0.439695D+01 -0.143394D+02 -0.336084D+01  0.960706D+01 -0.119402D+01
      3  -0.775266D+01 -0.586116D+01 -0.241542D+01  0.716879D+00 -0.314710D+01
      4   0.135703D+02  0.145255D+02  0.101564D+02 -0.783136D+01  0.112890D+02
      5   0.526254D+01 -0.216417D+02 -0.653888D+01  0.182947D+02 -0.608821D+01
      6   0.442301D+01 -0.784564D+01 -0.419242D+01  0.699639D+01 -0.515767D+01
               131           132           133           134           135 
      1   0.207760D+01 -0.702002D+00 -0.813903D+01 -0.984358D+00  0.418358D+01
      2   0.196280D+00  0.357545D+00  0.100581D+02  0.253845D+01 -0.119322D+02
      3  -0.227388D+01  0.344457D+00 -0.191903D+01 -0.155409D+01  0.774863D+01
      4   0.784572D+01 -0.666419D+01 -0.836717D+01 -0.610002D+01  0.961812D+01
      5  -0.752120D+01  0.715501D+01  0.197373D+02  0.845395D+01 -0.220429D+02
      6  -0.599581D+01  0.818692D+01  0.749700D+01  0.727442D+01 -0.105796D+02
               136           137           138           139           140 
      1  -0.317514D+00  0.147772D+01 -0.812038D+00  0.121023D+01 -0.252854D+02
      2   0.419098D+01 -0.347226D+01  0.317298D+00 -0.255812D+01  0.411993D+02
      3  -0.387347D+01  0.199454D+01  0.494739D+00  0.134789D+01 -0.159139D+02
      4  -0.220819D+01  0.896266D+01 -0.115469D+01  0.680113D+01 -0.684142D+01
      5   0.705975D+00 -0.302205D+01  0.199680D+01 -0.242253D+01  0.275526D+01
      6  -0.182627D+01  0.194870D+01 -0.103861D+01  0.247500D+01 -0.182618D+02
               141           142           143           144           145 
      1   0.498142D+01 -0.669379D+00  0.108117D+01 -0.512062D+01 -0.561474D+00
      2  -0.447348D+01 -0.310144D+00  0.138164D+01  0.252759D+01 -0.475204D+01
      3  -0.507945D+00  0.979523D+00 -0.246281D+01  0.259303D+01  0.531352D+01
      4   0.149243D+01  0.187309D+00 -0.653774D+00 -0.810404D+00  0.960748D+00
      5  -0.122231D+01  0.770422D+00 -0.517789D+00  0.798979D+00  0.283008D+01
      6   0.904897D+01 -0.877599D+00  0.722324D+01 -0.316284D+01 -0.473409D+00
               146           147           148           149           150 
      1   0.815366D+00 -0.165442D+01  0.145008D+01 -0.416983D+01 -0.396205D+01
      2  -0.489470D+00 -0.270331D+01 -0.968564D+00 -0.179848D+00 -0.574745D+01
      3  -0.325896D+00  0.435773D+01 -0.481514D+00  0.434968D+01  0.970950D+01
      4   0.997414D+00 -0.180316D+01 -0.351868D+00 -0.872127D-01  0.792355D+00
      5   0.516547D+00  0.861017D+01  0.161597D+01  0.107155D+01  0.195773D+01
      6   0.114237D+01 -0.171537D+01  0.912466D+00 -0.345542D-01  0.404670D+01
               151           152           153           154           155 
      1   0.113179D+00  0.264250D+00 -0.262730D+02 -0.400237D+01 -0.742422D+00
      2  -0.260556D+01 -0.281873D+01 -0.216289D+02 -0.361718D+01 -0.120353D+01
      3   0.249238D+01  0.255448D+01  0.479019D+02  0.761955D+01  0.194595D+01
      4  -0.226546D+01  0.783154D+00 -0.134595D+01 -0.595276D+01 -0.250265D+01
      5   0.632894D+01  0.262370D+00  0.863174D+01 -0.236110D+01 -0.177624D+01
      6  -0.111710D+01  0.548752D+01 -0.120235D+02  0.181130D+01 -0.323658D+01
               156           157           158           159           160 
      1   0.106518D+02 -0.278467D+01 -0.483868D+01  0.718892D+00  0.939835D+01
      2   0.168890D+01  0.975460D+00  0.378169D+01  0.306876D+01  0.103324D+01
      3  -0.123407D+02  0.180921D+01  0.105699D+01 -0.378765D+01 -0.104316D+02
      4   0.355841D+01 -0.147369D+01  0.783113D-02  0.104835D+01  0.527828D+01
      5   0.952640D+00 -0.199009D+01 -0.440042D+00 -0.209238D+01  0.424560D+01
      6  -0.555597D+01 -0.169087D+01  0.354501D+00  0.148600D+01 -0.221103D+01
               161           162           163           164           165 
      1   0.436622D+00 -0.149622D+02  0.477352D+02 -0.420229D+01  0.138206D+02
      2   0.235344D+01 -0.883174D+01 -0.315251D+02  0.464708D+01 -0.124949D+02
      3  -0.279006D+01  0.237939D+02 -0.162101D+02 -0.444797D+00 -0.132571D+01
      4   0.211350D+01 -0.475457D+01  0.115697D+02  0.750957D+01  0.500917D+01
      5   0.948428D-02  0.382756D+01  0.285894D+02 -0.105569D+01  0.178242D+02
      6   0.351938D+01  0.788012D+01  0.279518D+01  0.384425D+01  0.299225D+01
               166           167           168           169           170 
      1  -0.104057D+02  0.419352D+01 -0.275786D+01  0.104634D+02 -0.237111D+00
      2   0.838991D+01 -0.661011D+00  0.407518D+01 -0.105342D+02  0.136119D+01
      3   0.201577D+01 -0.353251D+01 -0.131732D+01  0.707673D-01 -0.112408D+01
      4   0.485884D+01  0.720477D-01  0.166510D+01  0.362217D+01  0.139512D+01
      5  -0.627607D+01  0.352151D+01 -0.513817D+01  0.162262D+02 -0.177724D+01
      6   0.242638D+01 -0.446321D+00  0.617005D+00  0.212202D+01  0.148472D+01
               171           172           173           174           175 
      1   0.671698D+01  0.200609D+01  0.383241D+01  0.266072D+01  0.151198D+01
      2  -0.103572D+02  0.174485D+01 -0.119668D+01 -0.102305D+01  0.381213D+01
      3   0.364020D+01 -0.375095D+01 -0.263573D+01 -0.163767D+01 -0.532411D+01
      4   0.110975D+01  0.487314D+01  0.805987D+01  0.956684D+00  0.119141D+02
      5   0.120208D+02  0.261771D+01  0.118056D+01  0.163959D+01  0.283955D+01
      6   0.187793D+01  0.153320D+01  0.125299D+00 -0.461091D+00  0.267270D+01
               176           177           178           179           180 
      1  -0.229463D+02 -0.319143D+01  0.746387D+00 -0.991645D+00 -0.389072D+01
      2   0.494773D+02  0.250495D+01 -0.314788D+00 -0.212178D+01  0.421150D+01
      3  -0.265310D+02  0.686480D+00 -0.431600D+00  0.311342D+01 -0.320776D+00
      4   0.335381D+02  0.368804D+01 -0.284815D+00 -0.107256D+01  0.234098D+01
      5   0.272504D+01  0.454945D+01  0.162103D+01  0.305357D+01 -0.577956D+00
      6   0.166687D+02  0.910845D+01  0.316511D+00  0.762098D+01  0.114201D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 23 14:48:11 2021, MaxMem= 10737418240 cpu:           11944.3 elap:             747.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.45323 -10.52991 -10.45455 -10.44791 -10.44512
 Alpha  occ. eigenvalues --  -10.44328 -10.44314 -10.43244  -1.16959  -0.98264
 Alpha  occ. eigenvalues --   -0.90748  -0.86409  -0.82209  -0.74919  -0.70157
 Alpha  occ. eigenvalues --   -0.64921  -0.60229  -0.58177  -0.57734  -0.57122
 Alpha  occ. eigenvalues --   -0.54415  -0.53477  -0.51537  -0.50062  -0.47939
 Alpha  occ. eigenvalues --   -0.47411  -0.45850  -0.43290  -0.43026  -0.42617
 Alpha  occ. eigenvalues --   -0.35265
 Alpha virt. eigenvalues --    0.04030   0.05990   0.06424   0.06861   0.07907
 Alpha virt. eigenvalues --    0.08883   0.09657   0.10658   0.12200   0.12705
 Alpha virt. eigenvalues --    0.14551   0.15442   0.15923   0.16141   0.17272
 Alpha virt. eigenvalues --    0.17427   0.18649   0.20285   0.21682   0.22586
 Alpha virt. eigenvalues --    0.23089   0.23496   0.23801   0.24762   0.25312
 Alpha virt. eigenvalues --    0.25747   0.27919   0.28441   0.29437   0.30869
 Alpha virt. eigenvalues --    0.31664   0.32099   0.33014   0.33172   0.33532
 Alpha virt. eigenvalues --    0.34820   0.34944   0.35264   0.35787   0.36611
 Alpha virt. eigenvalues --    0.37286   0.37952   0.38285   0.38588   0.39740
 Alpha virt. eigenvalues --    0.40219   0.40553   0.41291   0.41408   0.41700
 Alpha virt. eigenvalues --    0.41730   0.42273   0.42495   0.43574   0.43902
 Alpha virt. eigenvalues --    0.44883   0.46116   0.46425   0.48130   0.48731
 Alpha virt. eigenvalues --    0.49519   0.49816   0.50561   0.50802   0.51019
 Alpha virt. eigenvalues --    0.51635   0.52216   0.53352   0.53448   0.53914
 Alpha virt. eigenvalues --    0.55045   0.55506   0.56284   0.56868   0.57265
 Alpha virt. eigenvalues --    0.58380   0.59175   0.59195   0.60459   0.61495
 Alpha virt. eigenvalues --    0.62395   0.62697   0.63275   0.63994   0.64661
 Alpha virt. eigenvalues --    0.65191   0.66120   0.66622   0.67021   0.67808
 Alpha virt. eigenvalues --    0.68227   0.68867   0.69868   0.70972   0.72194
 Alpha virt. eigenvalues --    0.73020   0.73522   0.74824   0.75530   0.76976
 Alpha virt. eigenvalues --    0.78485   0.80549   0.81917   0.82733   0.86663
 Alpha virt. eigenvalues --    0.87554   0.89164   0.92961   0.97825   0.98823
 Alpha virt. eigenvalues --    0.98876   1.02501   1.02981   1.04574   1.05638
 Alpha virt. eigenvalues --    1.06663   1.07477   1.09361   1.09903   1.10337
 Alpha virt. eigenvalues --    1.10844   1.11473   1.11884   1.12084   1.14405
 Alpha virt. eigenvalues --    1.15082   1.16322   1.17792   1.19229   1.20249
 Alpha virt. eigenvalues --    1.22012   1.24960   1.25968   1.29659   1.30995
 Alpha virt. eigenvalues --    1.33922   1.35929   1.37977   1.39633   1.43937
 Alpha virt. eigenvalues --    1.46089   1.47000   1.48989   1.52483   1.53126
 Alpha virt. eigenvalues --    1.56565   1.58320   1.63652   1.69685   1.71391
 Alpha virt. eigenvalues --    1.73482   1.75035   1.77024   1.81027   1.83422
 Alpha virt. eigenvalues --    1.84487   1.85493   1.88257   1.90751   1.91395
 Alpha virt. eigenvalues --    1.93654   1.95154   1.95985   1.97055   1.98072
 Alpha virt. eigenvalues --    1.99370   2.02318   2.02660   2.03693   2.05897
 Alpha virt. eigenvalues --    2.06848   2.06986   2.09563   2.11338   2.11856
 Alpha virt. eigenvalues --    2.12798   2.14283   2.16799   2.18037   2.18839
 Alpha virt. eigenvalues --    2.19651   2.22370   2.23885   2.25787   2.26467
 Alpha virt. eigenvalues --    2.29889   2.31913   2.35588   2.40658   2.42222
 Alpha virt. eigenvalues --    2.43581   2.45861   2.50701   2.52264   2.54008
 Alpha virt. eigenvalues --    2.57766   2.58165   2.61018   2.62905   2.64767
 Alpha virt. eigenvalues --    2.67598   2.69728   2.70694   2.71309   2.74055
 Alpha virt. eigenvalues --    2.75793   2.78237   2.79511   2.82672   2.87871
 Alpha virt. eigenvalues --    2.95323   2.97160   3.02467   3.05241   3.08399
 Alpha virt. eigenvalues --    3.13342   3.16210   3.19652   3.21921   3.24001
 Alpha virt. eigenvalues --    3.25452   3.26344   3.27605   3.30929   3.32113
 Alpha virt. eigenvalues --    3.35895   3.53333   3.90030
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.291384   0.321674   0.014536  -0.086911  -0.002688   0.163564
     2  C    0.321674   4.822626   0.331036   0.004004  -0.000112  -0.193875
     3  C    0.014536   0.331036   4.462336   0.341947  -0.002005  -0.072020
     4  C   -0.086911   0.004004   0.341947   4.507034   0.332340  -0.009857
     5  C   -0.002688  -0.000112  -0.002005   0.332340   5.237189   0.264572
     6  C    0.163564  -0.193875  -0.072020  -0.009857   0.264572   4.912312
     7  O    0.587180  -0.071718   0.003486   0.003987   0.004462  -0.061051
     8  H    0.143464   0.276915  -0.003220   0.008931   0.006529   0.008775
     9  H    0.035037   0.283813   0.062782  -0.032818  -0.029338  -0.050564
    10  H   -0.006711   0.071481   0.306630  -0.005452  -0.005276  -0.026410
    11  H    0.005121   0.009376   0.311560   0.063384  -0.006580   0.012725
    12  H    0.003353   0.019823  -0.019923   0.221072   0.074341   0.036581
    13  H   -0.037185  -0.055262   0.089121   0.336655   0.052277  -0.057184
    14  C   -0.025556  -0.030316   0.008317  -0.038634   0.425715  -0.003223
    15  H    0.012033   0.003187   0.000191  -0.032245   0.335342  -0.055104
    16  H    0.165175   0.011220   0.008023   0.020101   0.074083   0.157838
    17  H   -0.010151  -0.056606  -0.026995  -0.054000   0.064813   0.357639
    18  H    0.006239   0.001872   0.010532  -0.034432   0.156293  -0.030875
    19  H   -0.006088  -0.001853  -0.014565  -0.027701   0.098656   0.013966
    20  H   -0.011431  -0.003611   0.000335   0.008635   0.101458  -0.037667
               7          8          9         10         11         12
     1  C    0.587180   0.143464   0.035037  -0.006711   0.005121   0.003353
     2  C   -0.071718   0.276915   0.283813   0.071481   0.009376   0.019823
     3  C    0.003486  -0.003220   0.062782   0.306630   0.311560  -0.019923
     4  C    0.003987   0.008931  -0.032818  -0.005452   0.063384   0.221072
     5  C    0.004462   0.006529  -0.029338  -0.005276  -0.006580   0.074341
     6  C   -0.061051   0.008775  -0.050564  -0.026410   0.012725   0.036581
     7  O    7.670159  -0.057399   0.001626  -0.010292   0.003415  -0.000795
     8  H   -0.057399   0.881934  -0.123402  -0.046770   0.019414   0.001082
     9  H    0.001626  -0.123402   0.776291   0.009571  -0.033837   0.001738
    10  H   -0.010292  -0.046770   0.009571   0.918956  -0.179580  -0.013671
    11  H    0.003415   0.019414  -0.033837  -0.179580   0.924498  -0.009449
    12  H   -0.000795   0.001082   0.001738  -0.013671  -0.009449   1.144730
    13  H    0.002678  -0.001384  -0.013121  -0.000746  -0.000219  -0.312171
    14  C   -0.005415   0.000195  -0.000599  -0.010708   0.005194  -0.037311
    15  H    0.000969  -0.000294   0.004941  -0.004841  -0.000387   0.028987
    16  H   -0.072982   0.000943  -0.003154  -0.000513  -0.000236  -0.001260
    17  H    0.003091  -0.003854  -0.003696   0.002992   0.000763   0.001360
    18  H    0.011100  -0.000527  -0.003556  -0.003879   0.001100  -0.013307
    19  H    0.002903   0.000091   0.000098  -0.016464   0.001464  -0.004269
    20  H   -0.008072  -0.000159   0.000329   0.002819   0.000047   0.005971
              13         14         15         16         17         18
     1  C   -0.037185  -0.025556   0.012033   0.165175  -0.010151   0.006239
     2  C   -0.055262  -0.030316   0.003187   0.011220  -0.056606   0.001872
     3  C    0.089121   0.008317   0.000191   0.008023  -0.026995   0.010532
     4  C    0.336655  -0.038634  -0.032245   0.020101  -0.054000  -0.034432
     5  C    0.052277   0.425715   0.335342   0.074083   0.064813   0.156293
     6  C   -0.057184  -0.003223  -0.055104   0.157838   0.357639  -0.030875
     7  O    0.002678  -0.005415   0.000969  -0.072982   0.003091   0.011100
     8  H   -0.001384   0.000195  -0.000294   0.000943  -0.003854  -0.000527
     9  H   -0.013121  -0.000599   0.004941  -0.003154  -0.003696  -0.003556
    10  H   -0.000746  -0.010708  -0.004841  -0.000513   0.002992  -0.003879
    11  H   -0.000219   0.005194  -0.000387  -0.000236   0.000763   0.001100
    12  H   -0.312171  -0.037311   0.028987  -0.001260   0.001360  -0.013307
    13  H    1.035945   0.019238  -0.077099   0.000093   0.005970   0.001174
    14  C    0.019238   4.169942  -0.033593  -0.042734   0.024072   0.215016
    15  H   -0.077099  -0.033593   1.239754   0.018394  -0.062128  -0.007600
    16  H    0.000093  -0.042734   0.018394   1.109696  -0.257947  -0.026934
    17  H    0.005970   0.024072  -0.062128  -0.257947   0.967949  -0.000067
    18  H    0.001174   0.215016  -0.007600  -0.026934  -0.000067   0.782935
    19  H    0.005369   0.249715  -0.007173   0.004366  -0.004115  -0.012198
    20  H   -0.003813   0.274048  -0.012131  -0.008189   0.006151  -0.005157
              19         20
     1  C   -0.006088  -0.011431
     2  C   -0.001853  -0.003611
     3  C   -0.014565   0.000335
     4  C   -0.027701   0.008635
     5  C    0.098656   0.101458
     6  C    0.013966  -0.037667
     7  O    0.002903  -0.008072
     8  H    0.000091  -0.000159
     9  H    0.000098   0.000329
    10  H   -0.016464   0.002819
    11  H    0.001464   0.000047
    12  H   -0.004269   0.005971
    13  H    0.005369  -0.003813
    14  C    0.249715   0.274048
    15  H   -0.007173  -0.012131
    16  H    0.004366  -0.008189
    17  H   -0.004115   0.006151
    18  H   -0.012198  -0.005157
    19  H    0.878623  -0.175733
    20  H   -0.175733   0.824617
 Mulliken charges:
               1
     1  C   -0.562040
     2  C    0.256327
     3  C    0.187896
     4  C    0.473961
     5  C   -1.182071
     6  C    0.669857
     7  O   -0.007334
     8  H   -0.111264
     9  H    0.117859
    10  H    0.018864
    11  H   -0.127772
    12  H   -0.126884
    13  H    0.009664
    14  C    0.836637
    15  H   -0.351205
    16  H   -0.155983
    17  H    0.044757
    18  H   -0.047731
    19  H    0.014907
    20  H    0.041554
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.562040
     2  C    0.262922
     3  C    0.078988
     4  C    0.356742
     5  C   -1.533276
     6  C    0.558632
     7  O   -0.007334
    14  C    0.845366
 Electronic spatial extent (au):  <R**2>=            944.7723
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -2.7882    Y=              1.7675    Z=              1.3066  Tot=              3.5504
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -57.0139   YY=            -50.0984   ZZ=            -49.3162
   XY=              4.8412   XZ=              2.5025   YZ=             -1.3584
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -4.8710   YY=              2.0444   ZZ=              2.8266
   XY=              4.8412   XZ=              2.5025   YZ=             -1.3584
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -15.0270  YYY=             -0.2042  ZZZ=              1.2441  XYY=             -1.9630
  XXY=             10.1187  XXZ=              4.7196  XZZ=              2.1959  YZZ=              0.2215
  YYZ=              1.3731  XYZ=             -2.0015
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -642.0184 YYYY=           -446.5228 ZZZZ=           -201.2635 XXXY=             17.7738
 XXXZ=             10.6584 YYYX=              3.0514 YYYZ=             -1.7107 ZZZX=             -2.6087
 ZZZY=              0.5032 XXYY=           -186.2262 XXZZ=           -136.0886 YYZZ=           -111.7808
 XXYZ=             -6.7923 YYXZ=              0.7367 ZZXY=              0.3459
 N-N= 3.941249269825D+02 E-N=-1.596554373996D+03  KE= 3.444870070687D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 23 14:48:12 2021, MaxMem= 10737418240 cpu:               5.8 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.02318643D+00 6.47982688D-01 4.83613985D-01
 Polarizability= 8.63494021D+01-1.04942373D+00 8.45156964D+01
                -1.93893247D+00 2.93358883D-01 7.33527226D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        1.1381    1.1410       -0.7852   -0.7856
 2     -1.1381   -1.1410       -0.2791   -0.2800       -1.2666   -1.2762
 3      0.7852    0.7856        6.8714    6.8704        0.2809    0.2800
 4      0.2791    0.2800        0.0000    0.0000        0.7863    0.7856
 5     -5.6048   -5.5942       -0.7863   -0.7856        1.1384    1.1410
 6     -0.2809   -0.2800       -1.1384   -1.1410        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -3.4229   -3.4229       -2.3568   -2.3568
 2      0.8399    0.8399       -0.0000    0.0000       -2.3568   -2.3568
 3      0.8399    0.8399       -3.4229   -3.4229       -0.0000    0.0000
 4     -3.4229   -3.4229       -0.8399   -0.8399       -3.8287   -3.8287
 5      2.3568    2.3568       20.6113   20.6113        0.8399    0.8399
 6    -16.7826  -16.7826       -2.3568   -2.3568        3.4229    3.4229
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1172    0.0000       -4.7389   -4.5638        2.8922    3.1423
 2      4.2375    4.5638        1.2280    1.1198        5.1256    5.1050
 3     -3.2263   -3.1423      -27.2120  -27.4817       -1.5477   -1.1198
 4     -1.1469   -1.1198        0.0569    0.0000       -3.5607   -3.1423
 5     22.5006   22.3768        3.2971    3.1423       -4.4791   -4.5638
 6      1.2188    1.1198        4.6285    4.5638       -0.0510    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.2145    0.0000        7.6701    7.4426        8.1243    8.2175
 2     -7.4888   -7.4426       -4.4134   -4.2112       -2.2063   -2.6205
 3     -7.8161   -8.2175        3.4747    3.4168        3.7672    4.2112
 4      4.1532    4.2112       -0.1091    0.0000       -8.1145   -8.2175
 5     -1.4594   -0.7963        8.5549    8.2175        7.8269    7.4426
 6     -4.3297   -4.2112       -7.4790   -7.4426       -0.1214    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      4.0730    4.2210       12.0199   12.1630      -19.7814  -19.8044
 2     10.7806   10.9226       18.8666   18.8329      -19.6760  -19.8044
 3     10.8435   10.9226       12.2097   12.1630      -27.0108  -27.1182
 4     -7.1071   -6.6699       -7.1980   -6.7015        3.6318    3.4871
 5     -7.1956   -7.3138        4.5525    4.0414        6.1852    6.7015
 6     -7.9472   -7.5285        7.4424    7.3138        7.1521    6.6699
 Full mass-weighted force constant matrix:
 Low frequencies ---  -13.1152  -11.0020   -7.4575    0.0002    0.0010    0.0011
 Low frequencies ---   86.3683  126.1967  213.8602
 Diagonal vibrational polarizability:
        7.5773632       4.4543364       9.6209149
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   20491.80
                      1                      2                      3
                      A                      A                      A
 Frequencies --     86.3617               126.1928               213.8600
 Red. masses --      4.6602                 2.6340                 1.1260
 Frc consts  --      0.0205                 0.0247                 0.0303
 IR Inten    --      3.5816                 0.6269                 0.3389
 RamAct Fr= 1--      0.8641                 0.4077                 0.1549
  Dep-P Fr= 1--      0.6946                 0.6726                 0.3788
  Dep-U Fr= 1--      0.8198                 0.8043                 0.5494
 Alpha2 Fr= 1--      0.0008                 0.0006                 0.0012
 Beta2  Fr= 1--      0.1181                 0.0547                 0.0142
 AlphaG Fr= 1--     -0.0003                -0.0006                -0.0032
 Gamma2 Fr= 1--     -0.0452                -0.0484                -0.0555
 Delta2 Fr= 1--      0.0112                 0.0040                 0.0073
 Raman1 Fr= 1--       3.456                  1.631                  0.620
 ROA1   Fr= 1--      -3.985                 -4.515                 -5.099
 CID1   Fr= 1--      -1.153                 -2.768                 -8.231
 Raman2 Fr= 1--       1.417                  0.656                  0.170
 ROA2   Fr= 1--      -1.175                 -1.193                 -1.391
 CID2   Fr= 1--      -0.829                 -1.819                 -8.174
 Raman3 Fr= 1--       2.833                  1.312                  0.340
 ROA3   Fr= 1--      -3.985                 -4.515                 -5.099
 CID3   Fr= 1--      -1.406                 -3.442                -14.981
 RC180  Fr= 1--       0.640                  0.609                  0.099
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.02  -0.04    -0.04  -0.03  -0.02     0.01  -0.01  -0.01
     2   6    -0.04  -0.03  -0.17    -0.04  -0.04  -0.19     0.02  -0.01  -0.02
     3   6    -0.07  -0.02  -0.02    -0.10   0.04   0.05     0.02   0.04   0.04
     4   6     0.02  -0.00   0.09    -0.02  -0.01   0.11    -0.02  -0.00  -0.03
     5   6    -0.03  -0.00  -0.00     0.01  -0.00   0.00    -0.00  -0.00  -0.02
     6   6    -0.01  -0.09  -0.16    -0.01   0.04   0.08    -0.00   0.03  -0.00
     7   8     0.27   0.04   0.26    -0.04  -0.09   0.05     0.01  -0.03   0.02
     8   1    -0.09  -0.07  -0.25    -0.15  -0.15  -0.36    -0.00  -0.02  -0.05
     9   1     0.08   0.02  -0.21     0.19   0.04  -0.27     0.09  -0.02  -0.02
    10   1    -0.19  -0.02  -0.01    -0.25   0.15   0.04     0.01   0.15   0.02
    11   1    -0.05  -0.02  -0.02    -0.05   0.04   0.17     0.03   0.04   0.14
    12   1    -0.02   0.06   0.24    -0.05   0.01   0.20    -0.00  -0.01  -0.09
    13   1     0.17  -0.05   0.10     0.05  -0.08   0.13    -0.10  -0.01  -0.02
    14   6    -0.21   0.09  -0.00     0.20   0.09  -0.09    -0.02  -0.03   0.00
    15   1     0.03  -0.02   0.05    -0.04  -0.09  -0.10     0.01  -0.01  -0.00
    16   1    -0.02  -0.08  -0.30     0.01   0.04   0.19     0.00   0.03   0.06
    17   1     0.06  -0.24  -0.12    -0.02   0.16   0.05    -0.01   0.09  -0.02
    18   1    -0.27   0.09  -0.06     0.30   0.14   0.03    -0.34   0.39  -0.15
    19   1    -0.22   0.18   0.11     0.24   0.11  -0.21    -0.25  -0.45   0.28
    20   1    -0.28   0.09  -0.06     0.20   0.08  -0.17     0.50  -0.04  -0.11
                      4                      5                      6
                      A                      A                      A
 Frequencies --    263.5604               345.1455               364.4974
 Red. masses --      1.8583                 2.6156                 2.0499
 Frc consts  --      0.0761                 0.1836                 0.1605
 IR Inten    --      0.1709                 0.5992                 0.3745
 RamAct Fr= 1--      0.2966                 0.7422                 0.5588
  Dep-P Fr= 1--      0.2370                 0.6834                 0.6308
  Dep-U Fr= 1--      0.3832                 0.8119                 0.7736
 Alpha2 Fr= 1--      0.0036                 0.0009                 0.0012
 Beta2  Fr= 1--      0.0189                 0.1004                 0.0720
 AlphaG Fr= 1--      0.0051                -0.0021                -0.0022
 Gamma2 Fr= 1--      0.0375                -0.0587                 0.1520
 Delta2 Fr= 1--     -0.0276                -0.1109                 0.0042
 Raman1 Fr= 1--       1.186                  2.969                  2.235
 ROA1   Fr= 1--       2.718                 -9.185                 14.727
 CID1   Fr= 1--       2.291                 -3.094                  6.589
 Raman2 Fr= 1--       0.227                  1.205                  0.865
 ROA2   Fr= 1--       1.121                 -0.521                  3.615
 CID2   Fr= 1--       4.930                 -0.432                  4.181
 Raman3 Fr= 1--       0.455                  2.410                  1.729
 ROA3   Fr= 1--       2.718                 -9.185                 14.727
 CID3   Fr= 1--       5.978                 -3.811                  8.517
 RC180  Fr= 1--      -0.234                  0.624                  0.547
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.05    -0.03  -0.10  -0.09    -0.08   0.04   0.03
     2   6    -0.04  -0.00   0.04    -0.11  -0.09   0.03     0.00   0.04  -0.02
     3   6    -0.03  -0.14  -0.13    -0.04   0.05  -0.02     0.03   0.05  -0.04
     4   6     0.03  -0.00   0.04    -0.09   0.11  -0.05     0.13   0.05   0.08
     5   6     0.02  -0.00   0.04    -0.00   0.10   0.10    -0.03   0.02  -0.03
     6   6     0.01  -0.03   0.04    -0.01  -0.09  -0.07    -0.08  -0.08  -0.06
     7   8    -0.03   0.02  -0.02     0.09  -0.01  -0.01    -0.07   0.05   0.03
     8   1     0.02   0.02   0.12    -0.02   0.03   0.19     0.04  -0.07  -0.04
     9   1    -0.21   0.05   0.05    -0.22  -0.25   0.13     0.01   0.10  -0.05
    10   1     0.00  -0.40  -0.06    -0.04   0.12  -0.04    -0.02  -0.01  -0.02
    11   1    -0.07  -0.14  -0.39     0.07   0.06   0.03     0.02   0.05  -0.09
    12   1    -0.00   0.00   0.15    -0.08  -0.03  -0.19     0.08   0.22   0.36
    13   1     0.19   0.05   0.01    -0.23   0.25  -0.10     0.42  -0.09   0.11
    14   6     0.03   0.15  -0.03     0.15   0.03   0.11     0.07  -0.13   0.01
    15   1     0.00  -0.04   0.00    -0.01   0.12   0.10    -0.08   0.08  -0.05
    16   1     0.01  -0.03  -0.01    -0.19  -0.11  -0.26    -0.08  -0.07  -0.31
    17   1     0.01  -0.08   0.05     0.21  -0.29  -0.04    -0.07  -0.31   0.00
    18   1    -0.13   0.48  -0.06     0.21   0.09   0.19     0.05  -0.11   0.00
    19   1    -0.08  -0.02   0.14     0.15  -0.11  -0.03     0.02  -0.37  -0.07
    20   1     0.31   0.13  -0.25     0.29   0.04   0.16     0.28  -0.12   0.17
                      7                      8                      9
                      A                      A                      A
 Frequencies --    429.2549               465.2393               495.8876
 Red. masses --      2.3132                 2.0027                 3.8020
 Frc consts  --      0.2511                 0.2554                 0.5508
 IR Inten    --      1.0580                 1.6239                 9.7984
 RamAct Fr= 1--      0.9976                 0.5160                 1.0977
  Dep-P Fr= 1--      0.6541                 0.6791                 0.7223
  Dep-U Fr= 1--      0.7909                 0.8089                 0.8387
 Alpha2 Fr= 1--      0.0017                 0.0006                 0.0005
 Beta2  Fr= 1--      0.1315                 0.0696                 0.1534
 AlphaG Fr= 1--     -0.0052                 0.0086                -0.0083
 Gamma2 Fr= 1--     -0.5450                 0.2893                 0.0917
 Delta2 Fr= 1--      0.0477                -0.0167                 0.0483
 Raman1 Fr= 1--       3.991                  2.064                  4.391
 ROA1   Fr= 1--     -50.794                 27.239                 10.350
 CID1   Fr= 1--     -12.728                 13.197                  2.357
 Raman2 Fr= 1--       1.578                  0.835                  1.841
 ROA2   Fr= 1--     -13.461                  7.077                  1.815
 CID2   Fr= 1--      -8.531                  8.478                  0.986
 Raman3 Fr= 1--       3.156                  1.670                  3.683
 ROA3   Fr= 1--     -50.794                 27.239                 10.350
 CID3   Fr= 1--     -16.095                 16.315                  2.811
 RC180  Fr= 1--       0.582                  0.618                  0.677
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.02  -0.11     0.03   0.07   0.02    -0.04  -0.10   0.05
     2   6     0.01  -0.02   0.07     0.14   0.05  -0.03     0.01  -0.18  -0.04
     3   6    -0.02  -0.10   0.04     0.04  -0.12   0.08     0.08  -0.06   0.03
     4   6    -0.04   0.06   0.12    -0.10  -0.01   0.01     0.01   0.04  -0.00
     5   6    -0.08   0.06  -0.05    -0.10   0.01   0.06    -0.11   0.02  -0.01
     6   6    -0.04   0.16  -0.07    -0.05   0.01  -0.09    -0.11  -0.05   0.15
     7   8     0.09  -0.06  -0.01    -0.03   0.01  -0.01     0.13   0.27  -0.12
     8   1     0.02   0.21   0.20    -0.03  -0.08  -0.30    -0.04  -0.44  -0.22
     9   1    -0.13  -0.18   0.17     0.39   0.21  -0.16     0.25  -0.05  -0.15
    10   1    -0.04  -0.32   0.10     0.07  -0.30   0.12     0.04  -0.02   0.03
    11   1     0.00  -0.09  -0.20    -0.02  -0.12  -0.13     0.19  -0.05   0.05
    12   1    -0.04   0.23   0.25    -0.01  -0.02  -0.26     0.05   0.14  -0.03
    13   1     0.14  -0.07   0.15    -0.33   0.08  -0.00     0.01   0.01   0.01
    14   6     0.02  -0.06  -0.03     0.04   0.02   0.03    -0.02  -0.02  -0.02
    15   1    -0.03  -0.02  -0.04    -0.06  -0.06   0.06    -0.18   0.07  -0.05
    16   1    -0.07   0.15   0.22    -0.04   0.02  -0.34    -0.21  -0.07   0.44
    17   1    -0.01   0.43  -0.16     0.01  -0.24  -0.01    -0.15   0.23   0.07
    18   1     0.06  -0.13  -0.01     0.13   0.08   0.14     0.01   0.01   0.02
    19   1     0.01  -0.20  -0.15     0.07  -0.04  -0.10    -0.01  -0.08  -0.09
    20   1     0.10  -0.05   0.13     0.12   0.02   0.01     0.04  -0.01  -0.00
                     10                     11                     12
                      A                      A                      A
 Frequencies --    558.5884               678.9745               750.2405
 Red. masses --      3.0234                 2.8180                 2.4778
 Frc consts  --      0.5558                 0.7654                 0.8217
 IR Inten    --      1.5593                 1.9343                 3.9991
 RamAct Fr= 1--      1.7391                 9.6444                12.4744
  Dep-P Fr= 1--      0.1508                 0.0353                 0.0611
  Dep-U Fr= 1--      0.2620                 0.0682                 0.1151
 Alpha2 Fr= 1--      0.0268                 0.1973                 0.2400
 Beta2  Fr= 1--      0.0759                 0.1096                 0.2393
 AlphaG Fr= 1--      0.0510                -0.0932                 0.1106
 Gamma2 Fr= 1--     -0.1864                 0.5356                 0.1441
 Delta2 Fr= 1--      0.1778                 0.1476                -0.8391
 Raman1 Fr= 1--       6.957                 38.577                 49.898
 ROA1   Fr= 1--     -12.209                 56.140                -13.020
 CID1   Fr= 1--      -1.755                  1.455                 -0.261
 Raman2 Fr= 1--       0.911                  1.315                  2.871
 ROA2   Fr= 1--      -5.897                 11.673                 10.170
 CID2   Fr= 1--      -6.470                  8.877                  3.542
 Raman3 Fr= 1--       1.823                  2.630                  5.743
 ROA3   Fr= 1--     -12.209                 56.140                -13.020
 CID3   Fr= 1--      -6.698                 21.346                 -2.267
 RC180  Fr= 1--      -0.476                 -0.864                 -0.770
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.14  -0.04   0.18     0.22  -0.01   0.10    -0.04  -0.06  -0.10
     2   6    -0.05  -0.03   0.02     0.05   0.09  -0.01     0.03   0.16   0.01
     3   6    -0.10   0.00   0.04    -0.06   0.05  -0.09     0.01   0.14  -0.01
     4   6    -0.10   0.14   0.05    -0.03  -0.03  -0.03    -0.01   0.10   0.05
     5   6     0.12   0.14  -0.14    -0.18  -0.03   0.05    -0.03  -0.08   0.06
     6   6     0.08  -0.05   0.04    -0.06  -0.02   0.07     0.01  -0.15   0.10
     7   8     0.00  -0.05  -0.07     0.09  -0.08  -0.10     0.05  -0.04   0.00
     8   1    -0.18  -0.13  -0.19     0.06   0.22   0.07     0.02   0.11  -0.04
     9   1     0.11   0.22  -0.12    -0.17   0.21  -0.02     0.19   0.07   0.02
    10   1    -0.16  -0.21   0.10    -0.05   0.38  -0.17     0.06  -0.37   0.12
    11   1     0.04   0.02  -0.21    -0.07   0.04   0.27    -0.14   0.15  -0.54
    12   1    -0.12   0.05   0.02    -0.08   0.16   0.24     0.02  -0.03  -0.14
    13   1    -0.17   0.08   0.08     0.27  -0.07  -0.04    -0.24   0.16   0.05
    14   6    -0.03  -0.05  -0.07    -0.03  -0.01   0.01    -0.03  -0.05  -0.07
    15   1     0.13   0.04  -0.17    -0.18   0.02   0.08    -0.12  -0.02  -0.00
    16   1    -0.08  -0.06  -0.16    -0.11  -0.03  -0.03     0.05  -0.16   0.32
    17   1    -0.10  -0.27   0.14    -0.16  -0.18   0.13     0.10   0.09   0.01
    18   1    -0.19  -0.28  -0.29     0.14   0.16   0.22    -0.00   0.03  -0.02
    19   1    -0.10  -0.13   0.08     0.03  -0.05  -0.21    -0.01  -0.02  -0.09
    20   1    -0.06  -0.02   0.23     0.07  -0.02  -0.12    -0.03  -0.06  -0.20
                     13                     14                     15
                      A                      A                      A
 Frequencies --    789.9725               828.1998               880.9450
 Red. masses --      2.3025                 1.7943                 2.3549
 Frc consts  --      0.8466                 0.7251                 1.0768
 IR Inten    --      2.8254                 1.1431                 1.8895
 RamAct Fr= 1--      2.8728                 0.7683                 3.5018
  Dep-P Fr= 1--      0.0913                 0.5742                 0.4527
  Dep-U Fr= 1--      0.1673                 0.7296                 0.6232
 Alpha2 Fr= 1--      0.0514                 0.0025                 0.0212
 Beta2  Fr= 1--      0.0801                 0.0934                 0.3637
 AlphaG Fr= 1--      0.1090                -0.0164                -0.0551
 Gamma2 Fr= 1--      0.6066                 0.3038                -1.6788
 Delta2 Fr= 1--      0.3072                 0.3955                -1.0255
 Raman1 Fr= 1--      11.491                  3.073                 14.007
 ROA1   Fr= 1--      68.061                 41.820               -193.986
 CID1   Fr= 1--       5.923                 13.608                -13.849
 Raman2 Fr= 1--       0.961                  1.121                  4.365
 ROA2   Fr= 1--      12.100                  4.127                -32.088
 CID2   Fr= 1--      12.586                  3.681                 -7.351
 Raman3 Fr= 1--       1.923                  2.242                  8.730
 ROA3   Fr= 1--      68.061                 41.820               -193.986
 CID3   Fr= 1--      35.398                 18.652                -22.221
 RC180  Fr= 1--      -0.665                  0.459                  0.246
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.09  -0.00     0.02   0.03  -0.07    -0.01  -0.01   0.02
     2   6     0.02  -0.11  -0.07     0.01   0.05  -0.11     0.18  -0.04  -0.03
     3   6     0.06  -0.01  -0.03     0.01  -0.06   0.06    -0.01   0.10  -0.12
     4   6    -0.07   0.11   0.07     0.08  -0.05   0.03    -0.15  -0.04   0.10
     5   6    -0.06  -0.06   0.08     0.02   0.06  -0.02     0.07  -0.05  -0.03
     6   6     0.13   0.05   0.07    -0.09  -0.01   0.14    -0.10   0.02  -0.02
     7   8    -0.04   0.03   0.03     0.03  -0.00  -0.01     0.00   0.03  -0.01
     8   1     0.18   0.04   0.19     0.09   0.39   0.16     0.47  -0.12   0.24
     9   1    -0.26  -0.29   0.07    -0.28  -0.21   0.07    -0.09  -0.13   0.07
    10   1    -0.09   0.10  -0.04    -0.16  -0.05   0.08    -0.11   0.04  -0.09
    11   1     0.32   0.00   0.06    -0.08  -0.07   0.10     0.06   0.11  -0.17
    12   1    -0.02   0.19  -0.02     0.17  -0.11  -0.27    -0.22  -0.20   0.18
    13   1    -0.09   0.18   0.04    -0.22   0.01   0.03    -0.14  -0.09   0.12
    14   6    -0.05  -0.08  -0.12     0.01   0.02  -0.02     0.06   0.02   0.06
    15   1    -0.01  -0.16   0.07    -0.18   0.10  -0.19     0.08  -0.28  -0.12
    16   1     0.30   0.08  -0.28    -0.16  -0.01  -0.15    -0.17   0.01  -0.01
    17   1     0.19  -0.26   0.15    -0.10  -0.30   0.22    -0.21  -0.00  -0.00
    18   1     0.00   0.02  -0.04    -0.11  -0.15  -0.19    -0.10  -0.07  -0.12
    19   1    -0.02  -0.04  -0.18    -0.05  -0.05   0.11    -0.00   0.12   0.31
    20   1    -0.05  -0.09  -0.26    -0.02   0.04   0.20    -0.09   0.03   0.12
                     16                     17                     18
                      A                      A                      A
 Frequencies --    902.6595               958.3398               977.1135
 Red. masses --      1.5218                 1.7974                 2.2628
 Frc consts  --      0.7306                 0.9726                 1.2729
 IR Inten    --      1.8227                 0.6385                 1.5698
 RamAct Fr= 1--      0.8153                 4.1165                 4.6232
  Dep-P Fr= 1--      0.4358                 0.4085                 0.5989
  Dep-U Fr= 1--      0.6071                 0.5800                 0.7491
 Alpha2 Fr= 1--      0.0053                 0.0296                 0.0129
 Beta2  Fr= 1--      0.0825                 0.3980                 0.5772
 AlphaG Fr= 1--      0.0105                -0.0767                -0.0978
 Gamma2 Fr= 1--      0.0619                 2.2053                 1.3500
 Delta2 Fr= 1--      0.6242                 1.4744                -0.4996
 Raman1 Fr= 1--       3.261                 16.466                 18.493
 ROA1   Fr= 1--      25.915                258.891                113.613
 CID1   Fr= 1--       7.946                 15.723                  6.144
 Raman2 Fr= 1--       0.990                  4.776                  6.927
 ROA2   Fr= 1--      -3.509                 41.133                 36.396
 CID2   Fr= 1--      -3.545                  8.613                  5.254
 Raman3 Fr= 1--       1.980                  9.551                 13.854
 ROA3   Fr= 1--      25.915                258.891                113.613
 CID3   Fr= 1--      13.090                 27.106                  8.201
 RC180  Fr= 1--       0.214                  0.160                  0.498
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.00  -0.09    -0.06  -0.01  -0.03    -0.02  -0.06   0.01
     2   6     0.03   0.00   0.05     0.10   0.04   0.02     0.04  -0.00   0.07
     3   6    -0.02  -0.00   0.02    -0.03  -0.06  -0.05    -0.07   0.01  -0.05
     4   6    -0.09  -0.02  -0.09    -0.05  -0.04   0.02     0.08  -0.05   0.05
     5   6     0.00   0.03  -0.01    -0.05   0.09   0.00     0.07   0.08   0.15
     6   6     0.02   0.04   0.11     0.11  -0.10   0.02    -0.07   0.11  -0.01
     7   8     0.02  -0.00   0.01    -0.02   0.02   0.03     0.02   0.00  -0.01
     8   1    -0.11  -0.00  -0.11     0.17  -0.07   0.05     0.08  -0.24  -0.01
     9   1     0.33  -0.15   0.05     0.03   0.10   0.01     0.11   0.16  -0.02
    10   1     0.29  -0.05  -0.02    -0.01   0.21  -0.12    -0.07   0.11  -0.08
    11   1    -0.10  -0.01  -0.05    -0.15  -0.08   0.27    -0.24  -0.01   0.12
    12   1    -0.18   0.18   0.35    -0.08  -0.07   0.07     0.03  -0.34  -0.07
    13   1     0.36  -0.20  -0.06     0.05   0.11  -0.05    -0.05   0.27  -0.06
    14   6     0.03  -0.01  -0.00    -0.03   0.08  -0.05    -0.03  -0.09  -0.15
    15   1    -0.09   0.04  -0.09    -0.10  -0.01  -0.10     0.12   0.09   0.21
    16   1    -0.09   0.03  -0.24     0.19  -0.10   0.20    -0.42   0.08  -0.16
    17   1     0.24  -0.28   0.18     0.25   0.14  -0.07     0.30  -0.08   0.00
    18   1    -0.10  -0.01  -0.12     0.02  -0.24  -0.11    -0.05  -0.03  -0.15
    19   1    -0.00   0.11   0.19    -0.09  -0.31  -0.24    -0.02  -0.03  -0.13
    20   1    -0.10  -0.01  -0.06     0.14   0.12   0.48    -0.05  -0.09  -0.25
                     19                     20                     21
                      A                      A                      A
 Frequencies --    982.4575              1039.0991              1066.6877
 Red. masses --      1.5626                 1.9243                 1.4816
 Frc consts  --      0.8887                 1.2242                 0.9932
 IR Inten    --      1.2206                 0.8051                 4.2558
 RamAct Fr= 1--      3.7238                 2.2877                 4.3076
  Dep-P Fr= 1--      0.6958                 0.7246                 0.6573
  Dep-U Fr= 1--      0.8206                 0.8403                 0.7932
 Alpha2 Fr= 1--      0.0035                 0.0010                 0.0071
 Beta2  Fr= 1--      0.5093                 0.3204                 0.5695
 AlphaG Fr= 1--     -0.0222                 0.0079                -0.0311
 Gamma2 Fr= 1--     -1.3817                -1.5557                 0.1337
 Delta2 Fr= 1--     -0.6284                -0.8412                -0.0522
 Raman1 Fr= 1--      14.895                  9.151                 17.230
 ROA1   Fr= 1--    -152.751               -176.266                 11.168
 CID1   Fr= 1--     -10.255                -19.262                  0.648
 Raman2 Fr= 1--       6.111                  3.845                  6.834
 ROA2   Fr= 1--     -28.133                -30.608                  3.627
 CID2   Fr= 1--      -4.603                 -7.961                  0.531
 Raman3 Fr= 1--      12.223                  7.690                 13.667
 ROA3   Fr= 1--    -152.751               -176.266                 11.168
 CID3   Fr= 1--     -12.497                -22.922                  0.817
 RC180  Fr= 1--       0.641                  0.681                  0.586
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.02    -0.03  -0.01   0.01    -0.01   0.02  -0.03
     2   6     0.02  -0.07  -0.01     0.15   0.00  -0.03    -0.00   0.03  -0.04
     3   6    -0.05   0.11   0.02    -0.13  -0.08   0.06     0.06  -0.04   0.01
     4   6     0.04  -0.09  -0.02     0.00   0.08  -0.07    -0.08  -0.00   0.01
     5   6    -0.03   0.04  -0.04     0.05   0.04  -0.05     0.13   0.04   0.01
     6   6     0.06   0.04   0.02     0.02  -0.07  -0.01    -0.04  -0.04   0.02
     7   8    -0.00   0.01  -0.00    -0.03   0.03   0.02    -0.01   0.01   0.01
     8   1     0.15  -0.14   0.09     0.27   0.07   0.14    -0.12   0.29  -0.05
     9   1     0.10  -0.32   0.08    -0.10  -0.07   0.05     0.02  -0.12   0.02
    10   1    -0.05  -0.26   0.11    -0.37  -0.01   0.08     0.25   0.06  -0.05
    11   1    -0.20   0.11  -0.34    -0.26  -0.09   0.15     0.22  -0.03   0.04
    12   1     0.00  -0.21  -0.00     0.03   0.26  -0.01    -0.20  -0.19   0.21
    13   1    -0.09  -0.26   0.06     0.07  -0.07  -0.02     0.09   0.04  -0.02
    14   6    -0.07   0.03   0.02     0.00  -0.07   0.04    -0.08  -0.01  -0.02
    15   1     0.01   0.25   0.10     0.08   0.32   0.11     0.35   0.06   0.24
    16   1     0.14   0.06  -0.13    -0.03  -0.08   0.16    -0.20  -0.07   0.11
    17   1    -0.07  -0.10   0.08     0.02   0.10  -0.07    -0.33  -0.01   0.05
    18   1     0.16   0.08   0.25     0.03   0.23   0.16     0.14   0.07   0.20
    19   1     0.00  -0.15  -0.35     0.08   0.20   0.05     0.01  -0.12  -0.36
    20   1     0.18   0.03   0.05    -0.06  -0.10  -0.41     0.15  -0.01  -0.07
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1077.9072              1127.5831              1148.2491
 Red. masses --      1.5424                 1.2484                 2.1498
 Frc consts  --      1.0558                 0.9352                 1.6700
 IR Inten    --      5.6606                17.5679                 0.6188
 RamAct Fr= 1--      0.6335                 3.0492                 2.2472
  Dep-P Fr= 1--      0.5792                 0.6930                 0.6997
  Dep-U Fr= 1--      0.7335                 0.8187                 0.8233
 Alpha2 Fr= 1--      0.0020                 0.0030                 0.0020
 Beta2  Fr= 1--      0.0774                 0.4160                 0.3083
 AlphaG Fr= 1--      0.0226                 0.0172                -0.0037
 Gamma2 Fr= 1--     -0.2783                 0.3478                 0.0203
 Delta2 Fr= 1--     -0.1560                 0.2573                -0.0242
 Raman1 Fr= 1--       2.534                 12.197                  8.989
 ROA1   Fr= 1--     -31.714                 41.624                  1.178
 CID1   Fr= 1--     -12.515                  3.413                  0.131
 Raman2 Fr= 1--       0.929                  4.992                  3.700
 ROA2   Fr= 1--      -5.432                  6.289                  0.681
 CID2   Fr= 1--      -5.845                  1.260                  0.184
 Raman3 Fr= 1--       1.859                  9.985                  7.400
 ROA3   Fr= 1--     -31.714                 41.624                  1.178
 CID3   Fr= 1--     -17.062                  4.169                  0.159
 RC180  Fr= 1--       0.467                  0.637                  0.647
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.07  -0.02     0.04   0.08  -0.03     0.07   0.01   0.13
     2   6     0.04  -0.06   0.04     0.02  -0.05   0.04    -0.02  -0.02  -0.13
     3   6    -0.12  -0.01   0.00    -0.03  -0.00  -0.02     0.03   0.05   0.08
     4   6     0.06   0.08  -0.02     0.01  -0.01   0.02    -0.03  -0.05  -0.07
     5   6     0.02  -0.08   0.03    -0.01   0.04   0.01    -0.03   0.05   0.14
     6   6    -0.05  -0.01  -0.01    -0.04  -0.04  -0.01    -0.01  -0.05  -0.10
     7   8     0.00  -0.00  -0.00    -0.01  -0.01   0.01    -0.05   0.02  -0.00
     8   1    -0.09   0.04  -0.06    -0.13   0.06  -0.08     0.04   0.28   0.09
     9   1     0.33  -0.36   0.11     0.03   0.08  -0.02    -0.06  -0.39   0.05
    10   1     0.08   0.03  -0.04    -0.06   0.03  -0.03     0.25  -0.18   0.11
    11   1    -0.21  -0.01   0.06     0.45   0.03  -0.03    -0.14   0.05  -0.17
    12   1     0.01  -0.08  -0.02    -0.17  -0.44   0.14    -0.09  -0.00   0.17
    13   1     0.16   0.48  -0.18    -0.08  -0.07   0.05     0.19  -0.01  -0.09
    14   6     0.01   0.03  -0.01     0.02  -0.03  -0.00     0.06   0.00  -0.08
    15   1    -0.03  -0.13  -0.04    -0.36   0.48  -0.11    -0.07   0.07   0.11
    16   1     0.27   0.03  -0.00     0.23  -0.01   0.07    -0.12  -0.07   0.24
    17   1    -0.45  -0.01   0.04     0.09   0.09  -0.06     0.23   0.21  -0.19
    18   1    -0.01  -0.10  -0.06    -0.05   0.05  -0.04    -0.13  -0.15  -0.30
    19   1    -0.03  -0.07   0.01     0.02   0.08   0.09    -0.04  -0.02   0.17
    20   1     0.02   0.03   0.14    -0.06  -0.04  -0.12    -0.11   0.01   0.07
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1199.4517              1246.9655              1249.8704
 Red. masses --      1.7195                 1.7890                 1.2696
 Frc consts  --      1.4575                 1.6390                 1.1686
 IR Inten    --      2.9749                23.0858                 7.0828
 RamAct Fr= 1--      2.6222                 2.2511                 9.1832
  Dep-P Fr= 1--      0.7295                 0.6452                 0.6523
  Dep-U Fr= 1--      0.8436                 0.7844                 0.7896
 Alpha2 Fr= 1--      0.0009                 0.0042                 0.0161
 Beta2  Fr= 1--      0.3687                 0.2943                 1.2085
 AlphaG Fr= 1--      0.0132                 0.0255                 0.0311
 Gamma2 Fr= 1--      3.4846                -0.6415                 2.3536
 Delta2 Fr= 1--      0.9061                -0.4617                -0.3952
 Raman1 Fr= 1--      10.489                  9.005                 36.733
 ROA1   Fr= 1--     363.516                -76.362                213.302
 CID1   Fr= 1--      34.657                 -8.480                  5.807
 Raman2 Fr= 1--       4.424                  3.531                 14.502
 ROA2   Fr= 1--      76.382                -11.703                 59.649
 CID2   Fr= 1--      17.264                 -3.314                  4.113
 Raman3 Fr= 1--       8.849                  7.063                 29.003
 ROA3   Fr= 1--     363.516                -76.362                213.302
 CID3   Fr= 1--      41.082                -10.812                  7.354
 RC180  Fr= 1--       0.687                  0.569                  0.579
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.02   0.03     0.08   0.18  -0.09     0.05   0.05   0.03
     2   6    -0.05   0.04  -0.03    -0.06  -0.02   0.04     0.01  -0.02   0.01
     3   6     0.06  -0.02  -0.07     0.01   0.01  -0.04    -0.04   0.00  -0.05
     4   6    -0.01  -0.03   0.12    -0.02  -0.04   0.01     0.03   0.01   0.03
     5   6    -0.06   0.11  -0.07     0.00   0.04   0.06     0.01  -0.03  -0.07
     6   6     0.06  -0.02  -0.02     0.03  -0.07   0.00    -0.00  -0.01   0.01
     7   8    -0.00  -0.00  -0.00    -0.01  -0.03   0.01    -0.04   0.02   0.02
     8   1     0.01  -0.04   0.01     0.16  -0.49   0.04    -0.16   0.22  -0.06
     9   1     0.21  -0.31   0.07     0.14  -0.07   0.02     0.23  -0.27   0.07
    10   1     0.42   0.13  -0.16    -0.11   0.01  -0.02     0.01   0.06  -0.07
    11   1    -0.43  -0.06   0.15     0.01   0.00   0.02     0.11   0.01  -0.00
    12   1     0.02  -0.12  -0.06     0.15   0.37  -0.13     0.08   0.01  -0.11
    13   1    -0.14   0.20   0.04    -0.09  -0.25   0.09    -0.05   0.04   0.02
    14   6     0.03  -0.08   0.04     0.02   0.00  -0.03    -0.04   0.00   0.04
    15   1    -0.08   0.10  -0.10     0.09   0.04   0.15    -0.06  -0.25  -0.23
    16   1     0.11  -0.01   0.01    -0.41  -0.13   0.22    -0.48  -0.07   0.11
    17   1    -0.20   0.03   0.00    -0.28   0.02   0.02     0.54   0.03  -0.07
    18   1    -0.06   0.19   0.04    -0.05  -0.06  -0.11     0.08   0.06   0.17
    19   1     0.08   0.21   0.14    -0.01  -0.02   0.03     0.01   0.00  -0.08
    20   1    -0.11  -0.09  -0.25    -0.04  -0.00  -0.02     0.07  -0.00  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1279.4185              1309.6035              1341.5270
 Red. masses --      1.3875                 1.4698                 1.4927
 Frc consts  --      1.3382                 1.4853                 1.5828
 IR Inten    --      4.3570                 3.4092                12.5371
 RamAct Fr= 1--      4.3672                 4.6286                 4.1712
  Dep-P Fr= 1--      0.6298                 0.7372                 0.7285
  Dep-U Fr= 1--      0.7728                 0.8487                 0.8429
 Alpha2 Fr= 1--      0.0095                 0.0010                 0.0015
 Beta2  Fr= 1--      0.5625                 0.6547                 0.5860
 AlphaG Fr= 1--      0.0436                -0.0017                -0.0043
 Gamma2 Fr= 1--     -3.8762                -0.0504                -0.9130
 Delta2 Fr= 1--     -0.6338                 0.7860                -0.4142
 Raman1 Fr= 1--      17.469                 18.515                 16.685
 ROA1   Fr= 1--    -392.402                 20.312               -100.899
 CID1   Fr= 1--     -22.463                  1.097                 -6.047
 Raman2 Fr= 1--       6.750                  7.857                  7.032
 ROA2   Fr= 1--     -87.959                 -7.498                -18.598
 CID2   Fr= 1--     -13.030                 -0.954                 -2.645
 Raman3 Fr= 1--      13.501                 15.714                 14.064
 ROA3   Fr= 1--    -392.402                 20.312               -100.899
 CID3   Fr= 1--     -29.065                  1.293                 -7.174
 RC180  Fr= 1--       0.546                  0.697                  0.686
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.07   0.02     0.02  -0.01   0.04    -0.01  -0.05   0.04
     2   6     0.05  -0.00   0.04    -0.03   0.02   0.01    -0.08   0.15  -0.02
     3   6    -0.02   0.01  -0.07     0.03  -0.03  -0.07     0.04  -0.06   0.01
     4   6     0.03  -0.02   0.00    -0.04   0.04   0.02     0.00   0.04  -0.03
     5   6    -0.08   0.04   0.03     0.09  -0.04   0.03    -0.02  -0.04  -0.00
     6   6     0.06   0.00  -0.01    -0.13  -0.00   0.00     0.03   0.03  -0.02
     7   8    -0.01   0.02   0.01     0.01  -0.00  -0.02     0.01  -0.00  -0.01
     8   1    -0.32   0.45  -0.14    -0.04   0.01  -0.01     0.27  -0.28   0.14
     9   1     0.24  -0.15   0.07     0.22  -0.22   0.06     0.38  -0.40   0.13
    10   1    -0.28   0.08  -0.06    -0.01   0.12  -0.10    -0.47   0.03   0.06
    11   1     0.24   0.02  -0.03    -0.21  -0.05   0.09     0.28  -0.04   0.04
    12   1     0.10   0.08  -0.10     0.09   0.30  -0.10    -0.15  -0.28   0.11
    13   1    -0.15  -0.25   0.10    -0.19  -0.40   0.20     0.10   0.04  -0.05
    14   6     0.05   0.00  -0.03    -0.02   0.02  -0.02     0.00   0.01   0.00
    15   1     0.24  -0.04   0.30     0.02   0.25   0.10    -0.10   0.07  -0.03
    16   1    -0.03  -0.01  -0.01     0.47   0.07  -0.03    -0.10   0.02  -0.02
    17   1    -0.28  -0.02   0.04     0.30   0.02  -0.05    -0.02  -0.03   0.01
    18   1    -0.08  -0.04  -0.15     0.05  -0.08  -0.00     0.01  -0.03  -0.00
    19   1    -0.01   0.00   0.12    -0.03  -0.06  -0.05    -0.02  -0.04   0.01
    20   1    -0.10   0.01   0.03     0.08   0.03   0.06    -0.01   0.01   0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1360.5266              1373.9865              1382.6947
 Red. masses --      1.5157                 1.3965                 1.4384
 Frc consts  --      1.6531                 1.5533                 1.6203
 IR Inten    --      5.5469                 0.9055                 2.5925
 RamAct Fr= 1--      4.0464                 0.7824                 1.3689
  Dep-P Fr= 1--      0.7014                 0.7259                 0.7495
  Dep-U Fr= 1--      0.8245                 0.8412                 0.8568
 Alpha2 Fr= 1--      0.0034                 0.0003                 0.0000
 Beta2  Fr= 1--      0.5561                 0.1097                 0.1955
 AlphaG Fr= 1--     -0.0045                 0.0011                -0.0012
 Gamma2 Fr= 1--     -0.9485                 0.8279                 0.5722
 Delta2 Fr= 1--     -0.1633                 0.8579                 0.0451
 Raman1 Fr= 1--      16.186                  3.130                  5.476
 ROA1   Fr= 1--     -96.283                106.934                 56.378
 CID1   Fr= 1--      -5.949                 34.167                 10.296
 Raman2 Fr= 1--       6.673                  1.316                  2.346
 ROA2   Fr= 1--     -21.459                 13.007                 13.373
 CID2   Fr= 1--      -3.216                  9.881                  5.701
 Raman3 Fr= 1--      13.345                  2.633                  4.692
 ROA3   Fr= 1--     -96.283                106.934                 56.378
 CID3   Fr= 1--      -7.215                 40.617                 12.017
 RC180  Fr= 1--       0.649                  0.682                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.01    -0.00  -0.00   0.01     0.03   0.06  -0.02
     2   6     0.01   0.02  -0.03    -0.01   0.05  -0.02    -0.01  -0.01  -0.00
     3   6    -0.08  -0.04   0.01    -0.10   0.01   0.03     0.02  -0.02   0.01
     4   6     0.03   0.07   0.03    -0.01  -0.10   0.03     0.06   0.09  -0.04
     5   6    -0.03  -0.14  -0.04    -0.02   0.04  -0.05    -0.09   0.03  -0.06
     6   6     0.06   0.04  -0.01    -0.06  -0.02   0.03    -0.06  -0.03   0.04
     7   8    -0.00   0.01   0.00     0.01  -0.01  -0.01     0.00  -0.01  -0.00
     8   1     0.11  -0.08   0.02     0.17  -0.14   0.08     0.04  -0.12   0.00
     9   1    -0.10   0.01  -0.00     0.07  -0.06   0.02    -0.05   0.01  -0.00
    10   1     0.55   0.10  -0.12     0.19   0.00  -0.02     0.01  -0.01   0.02
    11   1     0.07  -0.02   0.02     0.53   0.05  -0.12    -0.17  -0.04   0.07
    12   1    -0.01  -0.07  -0.00     0.17   0.25  -0.16    -0.17  -0.46   0.14
    13   1    -0.19  -0.11   0.12     0.13   0.30  -0.14    -0.08  -0.20   0.08
    14   6     0.03   0.04  -0.02     0.01  -0.02  -0.02     0.03  -0.00   0.00
    15   1     0.00   0.50   0.30     0.30  -0.00   0.23     0.50  -0.34   0.33
    16   1    -0.34  -0.01   0.00     0.27   0.02  -0.02     0.13  -0.02   0.07
    17   1    -0.01  -0.06   0.03     0.20   0.02  -0.02     0.27  -0.03   0.01
    18   1     0.03  -0.10  -0.06     0.02   0.11   0.04    -0.06   0.04  -0.07
    19   1    -0.06  -0.09   0.12     0.01   0.12   0.11     0.01   0.01   0.05
    20   1    -0.04   0.05   0.13     0.00  -0.00   0.12    -0.10   0.00   0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1396.2077              1421.4058              1466.3572
 Red. masses --      1.4178                 1.2549                 1.1000
 Frc consts  --      1.6284                 1.4938                 1.3936
 IR Inten    --      0.5821                 7.8309                 8.7816
 RamAct Fr= 1--      0.3839                 0.2413                10.5557
  Dep-P Fr= 1--      0.2980                 0.5480                 0.7498
  Dep-U Fr= 1--      0.4591                 0.7080                 0.8570
 Alpha2 Fr= 1--      0.0040                 0.0009                 0.0000
 Beta2  Fr= 1--      0.0294                 0.0285                 1.5077
 AlphaG Fr= 1--     -0.0252                -0.0005                -0.0051
 Gamma2 Fr= 1--      0.1203                 0.1623                -0.3341
 Delta2 Fr= 1--     -0.1008                 0.0037                 0.2251
 Raman1 Fr= 1--       1.535                  0.965                 42.223
 ROA1   Fr= 1--       8.326                 15.703                -24.866
 CID1   Fr= 1--       5.422                 16.269                 -0.589
 Raman2 Fr= 1--       0.352                  0.342                 18.093
 ROA2   Fr= 1--       3.694                  3.866                 -9.818
 CID2   Fr= 1--      10.481                 11.314                 -0.543
 Raman3 Fr= 1--       0.705                  0.683                 36.186
 ROA3   Fr= 1--       8.326                 15.703                -24.866
 CID3   Fr= 1--      11.810                 22.979                 -0.687
 RC180  Fr= 1--      -0.082                  0.416                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03  -0.01    -0.00  -0.00  -0.00    -0.00  -0.01   0.00
     2   6    -0.01  -0.05   0.02     0.00   0.01   0.00     0.04   0.04   0.02
     3   6     0.11   0.03  -0.01    -0.00  -0.01   0.00     0.01   0.00   0.00
     4   6    -0.06  -0.04   0.04     0.02   0.02  -0.02    -0.01  -0.01   0.01
     5   6    -0.02  -0.07  -0.08     0.01   0.01   0.04    -0.00   0.00  -0.01
     6   6    -0.01  -0.00   0.02     0.01   0.01  -0.02    -0.01   0.04  -0.05
     7   8    -0.01   0.00   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
     8   1    -0.13   0.13  -0.03    -0.01  -0.03  -0.03    -0.20  -0.23  -0.38
     9   1     0.04   0.07  -0.03    -0.04  -0.02   0.02    -0.36  -0.22   0.20
    10   1    -0.40  -0.04   0.08     0.01   0.05  -0.02    -0.04   0.02   0.00
    11   1    -0.29   0.00   0.00    -0.03  -0.01  -0.03     0.01   0.01  -0.03
    12   1    -0.04   0.02   0.03    -0.04  -0.03   0.08     0.01   0.01  -0.02
    13   1     0.16   0.41  -0.15    -0.10  -0.13   0.05     0.04   0.05  -0.02
    14   6     0.02   0.01  -0.03    -0.04  -0.06  -0.11     0.00   0.00   0.02
    15   1     0.13   0.44   0.32    -0.07  -0.11  -0.10    -0.01   0.03  -0.00
    16   1    -0.11  -0.01   0.01    -0.02  -0.00   0.08     0.09   0.02   0.50
    17   1     0.15  -0.02   0.00    -0.08  -0.07   0.02     0.06  -0.48   0.11
    18   1     0.09   0.04   0.05     0.29   0.30   0.34    -0.06  -0.04  -0.06
    19   1    -0.04   0.05   0.19    -0.07   0.36   0.39     0.04   0.03  -0.06
    20   1     0.01   0.03   0.19     0.19   0.00   0.52     0.05  -0.00  -0.04
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1474.7473              1488.6805              1498.7037
 Red. masses --      1.0886                 1.0714                 1.0598
 Frc consts  --      1.3949                 1.3989                 1.4025
 IR Inten    --      9.6688                 2.8086                 7.7256
 RamAct Fr= 1--      4.5268                 8.2318                 5.8646
  Dep-P Fr= 1--      0.7403                 0.7459                 0.7381
  Dep-U Fr= 1--      0.8508                 0.8545                 0.8493
 Alpha2 Fr= 1--      0.0007                 0.0006                 0.0012
 Beta2  Fr= 1--      0.6419                 1.1723                 0.8301
 AlphaG Fr= 1--      0.0021                -0.0054                 0.0044
 Gamma2 Fr= 1--      0.6260                -2.0476                -0.9060
 Delta2 Fr= 1--      0.2341                -0.7474                -0.0002
 Raman1 Fr= 1--      18.107                 32.927                 23.458
 ROA1   Fr= 1--      67.587               -220.488                -86.984
 CID1   Fr= 1--       3.733                 -6.696                 -3.708
 Raman2 Fr= 1--       7.703                 14.067                  9.962
 ROA2   Fr= 1--      13.152                -43.163                -21.742
 CID2   Fr= 1--       1.707                 -3.068                 -2.183
 Raman3 Fr= 1--      15.405                 28.135                 19.923
 ROA3   Fr= 1--      67.587               -220.488                -86.984
 CID3   Fr= 1--       4.387                 -7.837                 -4.366
 RC180  Fr= 1--       0.702                  0.709                  0.699
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00  -0.01     0.00   0.00  -0.00    -0.01   0.00   0.00
     2   6    -0.04  -0.04  -0.01     0.01   0.00   0.01     0.01   0.01  -0.00
     3   6    -0.01   0.00  -0.00     0.00  -0.02   0.03    -0.01   0.02  -0.03
     4   6    -0.02   0.02   0.01    -0.04   0.03   0.03    -0.01   0.01   0.01
     5   6    -0.00   0.00   0.00     0.01   0.01   0.01    -0.01   0.03  -0.01
     6   6     0.00   0.03  -0.04     0.00  -0.01   0.01     0.00  -0.00   0.00
     7   8    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     8   1     0.19   0.24   0.38    -0.05  -0.05  -0.08    -0.02  -0.02  -0.05
     9   1     0.35   0.26  -0.21    -0.09  -0.03   0.04    -0.05  -0.03   0.02
    10   1     0.04  -0.04   0.00    -0.02   0.28  -0.06     0.05  -0.30   0.07
    11   1    -0.00  -0.00   0.04    -0.06   0.00  -0.28     0.06   0.01   0.30
    12   1     0.04  -0.10  -0.21     0.08  -0.20  -0.44     0.02  -0.08  -0.15
    13   1     0.21  -0.10   0.03     0.46  -0.18   0.05     0.17  -0.05   0.01
    14   6    -0.00  -0.00   0.00     0.03  -0.00  -0.02    -0.01   0.03  -0.02
    15   1    -0.01   0.00  -0.01    -0.03  -0.01  -0.04     0.02  -0.05  -0.01
    16   1     0.07   0.01   0.44    -0.01  -0.00  -0.08     0.03  -0.00   0.00
    17   1     0.01  -0.43   0.11    -0.02   0.08  -0.02    -0.01  -0.00   0.00
    18   1    -0.04  -0.01  -0.03     0.05   0.25   0.11     0.40  -0.36   0.24
    19   1     0.03   0.06  -0.03    -0.08  -0.27   0.00    -0.23  -0.21   0.42
    20   1     0.05  -0.00   0.01    -0.38   0.01   0.09     0.02  -0.01  -0.33
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1504.3794              1513.1215              1786.0520
 Red. masses --      1.0664                 1.0739                10.8447
 Frc consts  --      1.4219                 1.4487                20.3825
 IR Inten    --      5.9725                 5.0046               212.6753
 RamAct Fr= 1--      1.4253                 3.4005                20.6212
  Dep-P Fr= 1--      0.4237                 0.6737                 0.3904
  Dep-U Fr= 1--      0.5952                 0.8050                 0.5616
 Alpha2 Fr= 1--      0.0097                 0.0046                 0.1580
 Beta2  Fr= 1--      0.1414                 0.4562                 1.9301
 AlphaG Fr= 1--     -0.0082                 0.0225                -0.0261
 Gamma2 Fr= 1--     -0.1391                 0.3652                 0.7739
 Delta2 Fr= 1--      0.1170                 0.0917                -0.1127
 Raman1 Fr= 1--       5.701                 13.602                 82.485
 ROA1   Fr= 1--      -9.613                 37.995                 70.685
 CID1   Fr= 1--      -1.686                  2.793                  0.857
 Raman2 Fr= 1--       1.697                  5.475                 23.162
 ROA2   Fr= 1--      -4.276                  8.032                 19.475
 CID2   Fr= 1--      -2.520                  1.467                  0.841
 Raman3 Fr= 1--       3.393                 10.950                 46.323
 ROA3   Fr= 1--      -9.613                 37.995                 70.685
 CID3   Fr= 1--      -2.833                  3.470                  1.526
 RC180  Fr= 1--       0.190                  0.610                  0.123
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00   0.01  -0.00     0.55  -0.40  -0.33
     2   6     0.01   0.01   0.00    -0.00  -0.01   0.00    -0.03   0.03   0.02
     3   6    -0.00   0.01  -0.01     0.01  -0.04   0.05    -0.01   0.01   0.00
     4   6    -0.03   0.03   0.02     0.01  -0.01   0.00     0.00  -0.00   0.00
     5   6    -0.02  -0.02   0.01    -0.02   0.02  -0.00    -0.02   0.01   0.00
     6   6     0.01  -0.01   0.02     0.00  -0.00   0.00    -0.04   0.02   0.03
     7   8     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.36   0.26   0.21
     8   1    -0.04  -0.05  -0.09     0.02   0.01   0.04     0.10  -0.25  -0.02
     9   1    -0.08  -0.06   0.05     0.02   0.04  -0.02    -0.06   0.11  -0.03
    10   1     0.02  -0.13   0.03    -0.05   0.53  -0.11     0.05  -0.04   0.00
    11   1     0.01   0.01   0.14    -0.09  -0.01  -0.52     0.03   0.02   0.02
    12   1     0.05  -0.19  -0.35    -0.00  -0.01   0.03     0.00  -0.01  -0.01
    13   1     0.36  -0.15   0.05    -0.02   0.03  -0.01     0.00   0.00  -0.00
    14   6    -0.03  -0.02   0.01    -0.03   0.02   0.01     0.00   0.00  -0.00
    15   1     0.01   0.04   0.07     0.03  -0.03   0.02     0.01  -0.02   0.03
    16   1    -0.06  -0.01  -0.18     0.01  -0.00   0.00     0.23   0.03  -0.14
    17   1    -0.02   0.17  -0.04    -0.00   0.00   0.00    -0.13  -0.02   0.03
    18   1    -0.17  -0.15  -0.19     0.14  -0.41   0.00     0.02  -0.03   0.00
    19   1     0.16   0.44  -0.10    -0.04   0.11   0.19    -0.01   0.01   0.04
    20   1     0.47  -0.01   0.07     0.32  -0.01  -0.26     0.01  -0.00  -0.01
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3009.0785              3010.6625              3017.1934
 Red. masses --      1.0683                 1.0687                 1.0687
 Frc consts  --      5.6989                 5.7075                 5.7319
 IR Inten    --      0.7721                19.2033                19.0713
 RamAct Fr= 1--     41.4088               105.4943                66.9581
  Dep-P Fr= 1--      0.2042                 0.3335                 0.3474
  Dep-U Fr= 1--      0.3391                 0.5002                 0.5156
 Alpha2 Fr= 1--      0.5561                 0.9764                 0.5929
 Beta2  Fr= 1--      2.3405                 8.7940                 5.7540
 AlphaG Fr= 1--      1.5314                -0.4074                -0.5981
 Gamma2 Fr= 1--      0.2796                -4.5441                12.9411
 Delta2 Fr= 1--      0.9349                -4.6815                 5.9040
 Raman1 Fr= 1--     165.635                421.977                267.833
 ROA1   Fr= 1--      56.757               -586.045               1431.275
 CID1   Fr= 1--       0.343                 -1.389                  5.344
 Raman2 Fr= 1--      28.086                105.528                 69.048
 ROA2   Fr= 1--      -0.769                -71.608                263.354
 CID2   Fr= 1--      -0.027                 -0.679                  3.814
 Raman3 Fr= 1--      56.172                211.056                138.096
 ROA3   Fr= 1--      56.757               -586.045               1431.275
 CID3   Fr= 1--       1.010                 -2.777                 10.364
 RC180  Fr= 1--      -0.322                  0.000                  0.031
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     2   6    -0.02  -0.03  -0.05    -0.01  -0.01  -0.01    -0.01  -0.02  -0.02
     3   6     0.00   0.01   0.01     0.00   0.01   0.01     0.00   0.00   0.00
     4   6    -0.00   0.00   0.01     0.02  -0.03  -0.05    -0.01   0.01   0.02
     5   6     0.01   0.01  -0.01    -0.02  -0.01   0.02    -0.02  -0.01   0.02
     6   6     0.00  -0.00   0.03    -0.00   0.00  -0.00    -0.01   0.00  -0.06
     7   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     8   1     0.14   0.06  -0.15     0.03   0.01  -0.03     0.07   0.03  -0.07
     9   1     0.15   0.33   0.76     0.03   0.07   0.17     0.07   0.16   0.36
    10   1    -0.01  -0.03  -0.11    -0.02  -0.04  -0.15    -0.01  -0.02  -0.05
    11   1     0.00  -0.04   0.00     0.01  -0.07  -0.00    -0.00   0.01   0.00
    12   1     0.05  -0.02   0.02    -0.31   0.09  -0.13     0.10  -0.03   0.05
    13   1    -0.01  -0.03  -0.09     0.08   0.27   0.73    -0.03  -0.10  -0.26
    14   6    -0.00  -0.00   0.00     0.00   0.00  -0.01     0.00   0.00  -0.00
    15   1    -0.13  -0.06   0.13     0.28   0.14  -0.29     0.23   0.12  -0.24
    16   1    -0.01   0.12   0.01     0.00  -0.01   0.00     0.02  -0.24  -0.02
    17   1    -0.04  -0.12  -0.38     0.00   0.00   0.01     0.08   0.22   0.69
    18   1     0.02   0.01  -0.02    -0.06  -0.02   0.06    -0.04  -0.02   0.04
    19   1    -0.01   0.00  -0.00     0.02  -0.01   0.01    -0.00   0.00  -0.00
    20   1    -0.00  -0.00   0.00     0.00   0.01  -0.00     0.00  -0.00   0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3029.8022              3033.1190              3038.0528
 Red. masses --      1.0699                 1.0482                 1.0603
 Frc consts  --      5.7868                 5.6816                 5.7661
 IR Inten    --     47.4115                15.1479                17.0666
 RamAct Fr= 1--    126.0414               229.1715               185.6829
  Dep-P Fr= 1--      0.2482                 0.0324                 0.0796
  Dep-U Fr= 1--      0.3977                 0.0627                 0.1474
 Alpha2 Fr= 1--      1.5013                 4.7199                 3.4167
 Beta2  Fr= 1--      8.3546                 2.3963                 4.5615
 AlphaG Fr= 1--      0.6226                 1.1151                -1.7719
 Gamma2 Fr= 1--      8.1136                -6.1841                -8.3710
 Delta2 Fr= 1--      4.4384                -3.1441                -8.2744
 Raman1 Fr= 1--     504.166                916.686                742.731
 ROA1   Fr= 1--     920.934               -694.289              -1068.394
 CID1   Fr= 1--       1.827                 -0.757                 -1.438
 Raman2 Fr= 1--     100.255                 28.756                 54.738
 ROA2   Fr= 1--     159.219               -123.266               -134.707
 CID2   Fr= 1--       1.588                 -4.287                 -2.461
 Raman3 Fr= 1--     200.511                 57.512                109.477
 ROA3   Fr= 1--     920.934               -694.289              -1068.394
 CID3   Fr= 1--       4.593                -12.072                 -9.759
 RC180  Fr= 1--      -0.205                 -0.875                 -0.705
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.01  -0.00   0.00
     3   6     0.00   0.00   0.01     0.00  -0.01   0.02    -0.01   0.03  -0.05
     4   6     0.00  -0.01  -0.02    -0.01   0.01   0.01     0.02  -0.00   0.02
     5   6     0.04   0.02  -0.04    -0.02  -0.01   0.02    -0.00  -0.00   0.00
     6   6    -0.00   0.00  -0.03     0.00   0.00   0.02     0.00   0.00   0.00
     7   8    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     8   1     0.00   0.00  -0.00    -0.03  -0.02   0.03     0.06   0.03  -0.06
     9   1     0.01   0.02   0.05    -0.01  -0.03  -0.07     0.01   0.02   0.05
    10   1    -0.02  -0.04  -0.15    -0.04  -0.08  -0.26     0.09   0.19   0.63
    11   1     0.00   0.01   0.00    -0.02   0.25   0.02     0.03  -0.50  -0.04
    12   1    -0.07   0.02  -0.03     0.14  -0.04   0.05    -0.27   0.08  -0.10
    13   1     0.02   0.10   0.26    -0.02  -0.07  -0.18    -0.01  -0.05  -0.12
    14   6    -0.01  -0.01  -0.02    -0.01  -0.01  -0.04    -0.01  -0.01  -0.02
    15   1    -0.47  -0.23   0.48     0.21   0.10  -0.21     0.05   0.02  -0.05
    16   1     0.01  -0.11  -0.01    -0.01   0.06   0.01    -0.00  -0.00  -0.00
    17   1     0.04   0.11   0.36    -0.03  -0.07  -0.23    -0.00  -0.01  -0.03
    18   1    -0.12  -0.05   0.12    -0.34  -0.13   0.35    -0.13  -0.05   0.13
    19   1     0.30  -0.10   0.10     0.41  -0.13   0.13     0.26  -0.09   0.08
    20   1    -0.00   0.30  -0.03     0.00   0.39  -0.04    -0.00   0.23  -0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3058.8450              3072.3535              3094.3196
 Red. masses --      1.0924                 1.1031                 1.1012
 Frc consts  --      6.0222                 6.1351                 6.2125
 IR Inten    --     46.5471                46.5897                15.0190
 RamAct Fr= 1--    165.3700                75.9239                53.7907
  Dep-P Fr= 1--      0.1935                 0.4984                 0.6688
  Dep-U Fr= 1--      0.3243                 0.6652                 0.8015
 Alpha2 Fr= 1--      2.2847                 0.3777                 0.0776
 Beta2  Fr= 1--      8.9369                 8.4180                 7.1856
 AlphaG Fr= 1--     -1.1558                -0.6015                 0.2329
 Gamma2 Fr= 1--     10.3000               -30.1715                -8.8799
 Delta2 Fr= 1--      9.3762               -14.1807                -6.5007
 Raman1 Fr= 1--     661.480                303.696                215.163
 ROA1   Fr= 1--    1288.836              -3350.250              -1060.493
 CID1   Fr= 1--       1.948                -11.032                 -4.929
 Raman2 Fr= 1--     107.243                101.016                 86.227
 ROA2   Fr= 1--     172.190               -610.671               -161.112
 CID2   Fr= 1--       1.606                 -6.045                 -1.868
 Raman3 Fr= 1--     214.485                202.032                172.454
 ROA3   Fr= 1--    1288.836              -3350.250              -1060.493
 CID3   Fr= 1--       6.009                -16.583                 -6.149
 RC180  Fr= 1--      -0.351                  0.330                  0.603
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.00   0.00   0.00    -0.01  -0.01  -0.00     0.00   0.00  -0.00
     3   6    -0.00   0.03  -0.01    -0.00  -0.07  -0.05     0.00  -0.00  -0.00
     4   6    -0.07   0.01  -0.05    -0.01  -0.00  -0.02     0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.03   0.01
     7   8    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     8   1     0.02   0.01  -0.02     0.08   0.04  -0.08    -0.02  -0.01   0.02
     9   1    -0.00  -0.01  -0.02     0.02   0.04   0.10     0.00   0.00   0.00
    10   1     0.02   0.04   0.12     0.08   0.15   0.57     0.00   0.00   0.01
    11   1     0.02  -0.39  -0.02    -0.05   0.72   0.02    -0.00   0.01  -0.00
    12   1     0.76  -0.23   0.28     0.14  -0.04   0.05    -0.04   0.02  -0.02
    13   1     0.02   0.12   0.30     0.02   0.08   0.21    -0.00  -0.01  -0.01
    14   6     0.00  -0.00  -0.00    -0.01  -0.01   0.00     0.05  -0.06   0.01
    15   1     0.03   0.02  -0.03     0.01   0.00  -0.01    -0.01  -0.00   0.01
    16   1     0.00  -0.02  -0.00     0.00  -0.02  -0.00     0.04  -0.38  -0.02
    17   1    -0.00  -0.00  -0.01     0.00   0.00   0.01    -0.01  -0.03  -0.11
    18   1    -0.04  -0.02   0.04     0.05   0.02  -0.06    -0.06  -0.04   0.08
    19   1     0.01  -0.00   0.00     0.06  -0.02   0.02    -0.60   0.18  -0.20
    20   1     0.00   0.06  -0.01    -0.00   0.08  -0.01     0.01   0.62  -0.05
                     52                     53                     54
                      A                      A                      A
 Frequencies --   3095.9944              3098.6575              3103.3695
 Red. masses --      1.1004                 1.0964                 1.0947
 Frc consts  --      6.2146                 6.2027                 6.2115
 IR Inten    --     23.2835                38.9040                19.9042
 RamAct Fr= 1--     20.7297               130.1001               111.9541
  Dep-P Fr= 1--      0.5180                 0.5326                 0.3117
  Dep-U Fr= 1--      0.6825                 0.6950                 0.4752
 Alpha2 Fr= 1--      0.0939                 0.5469                 1.1085
 Beta2  Fr= 1--      2.3580                15.0700                 8.8671
 AlphaG Fr= 1--      0.0205                 0.1663                -0.2080
 Gamma2 Fr= 1--     15.7033                -3.3582                 6.1876
 Delta2 Fr= 1--     11.2161                 1.3855                 3.8216
 Raman1 Fr= 1--      82.919                520.400                447.816
 ROA1   Fr= 1--    1866.428               -278.054                716.300
 CID1   Fr= 1--      22.509                 -0.534                  1.600
 Raman2 Fr= 1--      28.296                180.840                106.405
 ROA2   Fr= 1--     287.150                -91.681                117.929
 CID2   Fr= 1--      10.148                 -0.507                  1.108
 Raman3 Fr= 1--      56.591                361.681                212.810
 ROA3   Fr= 1--    1866.428               -278.054                716.300
 CID3   Fr= 1--      32.981                 -0.769                  3.366
 RC180  Fr= 1--       0.365                  0.390                 -0.050
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.01  -0.00   0.01    -0.01  -0.00   0.01    -0.05  -0.02   0.07
     3   6    -0.00  -0.01  -0.01     0.00   0.00   0.00     0.00   0.00   0.01
     4   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     5   6     0.01   0.00  -0.01    -0.00  -0.00   0.00    -0.00   0.00   0.00
     6   6     0.00  -0.03  -0.01     0.00  -0.07  -0.02    -0.00   0.01   0.00
     7   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   1     0.08   0.04  -0.08     0.07   0.03  -0.06     0.67   0.30  -0.60
     9   1    -0.00  -0.00  -0.01    -0.01  -0.01  -0.02    -0.05  -0.10  -0.22
    10   1     0.02   0.03   0.11    -0.01  -0.01  -0.04    -0.02  -0.03  -0.12
    11   1    -0.00   0.06   0.00     0.00  -0.02  -0.00    -0.00  -0.01   0.00
    12   1    -0.02   0.01  -0.01     0.00  -0.00   0.00    -0.02   0.00  -0.01
    13   1     0.00   0.01   0.02    -0.00  -0.00  -0.01    -0.00  -0.01  -0.02
    14   6     0.07   0.03  -0.04     0.00  -0.04   0.02    -0.01  -0.00   0.00
    15   1    -0.09  -0.04   0.10     0.04   0.02  -0.04     0.00   0.00  -0.00
    16   1    -0.03   0.27   0.01    -0.09   0.81   0.03     0.01  -0.13  -0.00
    17   1     0.01   0.02   0.09     0.03   0.06   0.23    -0.00  -0.01  -0.04
    18   1    -0.51  -0.19   0.54     0.14   0.04  -0.15     0.04   0.02  -0.04
    19   1    -0.34   0.12  -0.13    -0.15   0.04  -0.04     0.03  -0.01   0.01
    20   1     0.02  -0.35   0.02     0.00   0.42  -0.03    -0.00   0.01  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  6 and mass  12.00000
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Molecular mass:   112.08882 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   657.85592 905.368791227.62861
           X            0.99548   0.09292   0.01983
           Y           -0.09289   0.99567  -0.00240
           Z           -0.01997   0.00054   0.99980
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.13166     0.09567     0.07055
 Rotational constants (GHZ):           2.74337     1.99338     1.47010
 Zero-point vibrational energy     469607.0 (Joules/Mol)
                                  112.23877 (Kcal/Mol)
 Warning -- explicit consideration of  10 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    124.26   181.56   307.70   379.20   496.59
          (Kelvin)            524.43   617.60   669.38   713.47   803.68
                              976.89  1079.43  1136.59  1191.59  1267.48
                             1298.73  1378.84  1405.85  1413.54  1495.03
                             1534.73  1550.87  1622.34  1652.07  1725.74
                             1794.11  1798.28  1840.80  1884.23  1930.16
                             1957.49  1976.86  1989.39  2008.83  2045.09
                             2109.76  2121.83  2141.88  2156.30  2164.47
                             2177.04  2569.73  4329.39  4331.67  4341.07
                             4359.21  4363.98  4371.08  4401.00  4420.43
                             4452.04  4454.45  4458.28  4465.06
 
 Zero-point correction=                           0.178864 (Hartree/Particle)
 Thermal correction to Energy=                    0.186687
 Thermal correction to Enthalpy=                  0.187632
 Thermal correction to Gibbs Free Energy=         0.146815
 Sum of electronic and zero-point Energies=           -349.193398
 Sum of electronic and thermal Energies=              -349.185575
 Sum of electronic and thermal Enthalpies=            -349.184631
 Sum of electronic and thermal Free Energies=         -349.225447
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  117.148             30.256             85.906
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.058
 Rotational               0.889              2.981             28.082
 Vibrational            115.371             24.294             17.765
 Vibration     1          0.601              1.959              3.741
 Vibration     2          0.611              1.927              3.003
 Vibration     3          0.644              1.820              2.010
 Vibration     4          0.670              1.740              1.638
 Vibration     5          0.724              1.585              1.188
 Vibration     6          0.738              1.545              1.103
 Vibration     7          0.791              1.407              0.861
 Vibration     8          0.823              1.327              0.751
 Vibration     9          0.851              1.259              0.668
 Vibration    10          0.914              1.121              0.527
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.295050D-67        -67.530104       -155.493811
 Total V=0       0.551433D+15         14.741493         33.943541
 Vib (Bot)       0.206653D-80        -80.684759       -185.783522
 Vib (Bot)    1  0.238222D+01          0.376982          0.868033
 Vib (Bot)    2  0.161703D+01          0.208717          0.480588
 Vib (Bot)    3  0.927272D+00         -0.032793         -0.075509
 Vib (Bot)    4  0.735655D+00         -0.133326         -0.306994
 Vib (Bot)    5  0.536231D+00         -0.270648         -0.623190
 Vib (Bot)    6  0.501346D+00         -0.299863         -0.690459
 Vib (Bot)    7  0.406145D+00         -0.391319         -0.901045
 Vib (Bot)    8  0.364004D+00         -0.438894         -1.010591
 Vib (Bot)    9  0.332639D+00         -0.478026         -1.100696
 Vib (Bot)   10  0.278623D+00         -0.554983         -1.277895
 Vib (V=0)       0.386223D+02          1.586838          3.653830
 Vib (V=0)    1  0.293413D+01          0.467479          1.076410
 Vib (V=0)    2  0.219256D+01          0.340952          0.785071
 Vib (V=0)    3  0.155349D+01          0.191307          0.440501
 Vib (V=0)    4  0.138949D+01          0.142855          0.328935
 Vib (V=0)    5  0.123317D+01          0.091024          0.209591
 Vib (V=0)    6  0.120806D+01          0.082088          0.189015
 Vib (V=0)    7  0.114417D+01          0.058490          0.134679
 Vib (V=0)    8  0.111846D+01          0.048622          0.111957
 Vib (V=0)    9  0.110054D+01          0.041606          0.095801
 Vib (V=0)   10  0.107239D+01          0.030353          0.069890
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.466442D+08          7.668797         17.658058
 Rotational      0.306096D+06          5.485857         12.631653
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000013700   -0.000002233   -0.000003183
      2        6          -0.000004999    0.000039617   -0.000010300
      3        6          -0.000001861    0.000000296    0.000002682
      4        6           0.000011671   -0.000011962   -0.000004619
      5        6           0.000015039    0.000009010    0.000021512
      6        6          -0.000007476   -0.000006649   -0.000003266
      7        8          -0.000001107    0.000002105   -0.000006063
      8        1           0.000001493   -0.000004377    0.000000119
      9        1          -0.000001746   -0.000003527    0.000002594
     10        1           0.000000288    0.000004125    0.000002689
     11        1           0.000002883    0.000000809    0.000000402
     12        1           0.000004840    0.000001077    0.000001270
     13        1           0.000003678   -0.000002355    0.000001251
     14        6          -0.000000668   -0.000012361   -0.000001929
     15        1          -0.000003634    0.000003384   -0.000001910
     16        1          -0.000001401   -0.000001529    0.000004060
     17        1          -0.000000503   -0.000002970   -0.000001054
     18        1           0.000002630   -0.000010571    0.000003519
     19        1          -0.000001918   -0.000002124   -0.000007950
     20        1          -0.000003510    0.000000236    0.000000177
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000039617 RMS     0.000007845
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.903686D+02 -0.157117D+01 -0.228192D+01
      2  -0.157117D+01  0.878161D+02  0.559923D+00
      3  -0.228192D+01  0.559923D+00  0.766277D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.969490D+00  0.356338D+01 -0.361439D+01
      2  -0.117809D+02  0.340737D+00 -0.167110D+02
      3   0.110570D+02  0.124997D+02  0.738908D+00
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.283389D+02 -0.196085D+02 -0.256852D+02
      2   0.162800D+02  0.203841D+02  0.143296D+01
      3   0.120589D+02 -0.775554D+00  0.242522D+02
      4  -0.340659D+01 -0.231911D+02 -0.867369D+00
      5  -0.229474D+02 -0.959752D+00 -0.341136D+02
      6   0.968570D+00 -0.314305D+01  0.875645D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.374642D+01  0.441236D+01  0.802938D+00  0.442895D+01 -0.164018D+01
      2   0.441236D+01 -0.187305D+00 -0.227465D+01 -0.164018D+01 -0.259817D+01
      3   0.802938D+00 -0.227465D+01  0.362897D+00 -0.189653D+01  0.154624D+01
                 6             7             8             9            10 
      1  -0.189653D+01  0.166816D+01 -0.251592D+01 -0.647702D-01  0.419643D+00
      2   0.154624D+01 -0.251592D+01  0.896893D+00  0.193971D+01 -0.395983D+01
      3   0.168954D+01 -0.647702D-01  0.193971D+01  0.117632D+01  0.262613D+01
                11            12            13            14            15 
      1  -0.395983D+01  0.262613D+01 -0.375260D+01  0.474574D+00  0.655952D+00
      2  -0.602294D+00  0.506350D+00  0.474574D+00  0.276006D+01 -0.145343D+01
      3   0.506350D+00 -0.269467D+01  0.655952D+00 -0.145343D+01 -0.248074D+01
                16            17            18            19            20 
      1   0.405880D+01  0.390883D+00 -0.315733D+01 -0.306267D+01  0.335020D+01
      2   0.390883D+00 -0.151339D+01 -0.354694D+01  0.335020D+01 -0.195790D+00
      3  -0.315733D+01 -0.354694D+01 -0.310688D+01 -0.192736D+01 -0.154817D+00
                21            22            23            24            25 
      1  -0.192736D+01  0.225210D+01  0.835596D+00 -0.100682D+00 -0.223330D+01
      2  -0.154817D+00  0.835596D+00 -0.830384D+01  0.492082D+00  0.252538D-01
      3   0.172649D+01 -0.100682D+00  0.492082D+00  0.200196D+01  0.185205D+01
                26            27            28            29            30 
      1   0.252538D-01  0.185205D+01  0.597784D+01 -0.362489D+01  0.287891D+01
      2  -0.477440D+00  0.205971D+01 -0.362489D+01  0.162607D+00 -0.432182D-01
      3   0.205971D+01  0.594152D+01  0.287891D+01 -0.432182D-01 -0.884440D+00
                31            32            33            34            35 
      1  -0.345726D+01 -0.174236D+00  0.859531D-01  0.399135D+01 -0.221152D+00
      2  -0.174236D+00  0.444335D+01 -0.359619D+00 -0.221152D+00 -0.723477D+00
      3   0.859531D-01 -0.359619D+00 -0.286701D+01 -0.590719D+00 -0.363060D+01
                36            37            38            39            40 
      1  -0.590719D+00 -0.384800D+01  0.310030D+01 -0.381582D+01  0.409203D+01
      2  -0.363060D+01  0.310030D+01  0.116605D+01 -0.652654D-01  0.806076D+00
      3  -0.570226D+01 -0.381582D+01 -0.652654D-01  0.282138D+01 -0.140066D+00
                41            42            43            44            45 
      1   0.806076D+00 -0.140066D+00 -0.482019D+01 -0.171556D+00  0.345032D+01
      2  -0.505249D+01  0.148151D-01 -0.171556D+00  0.267542D+00  0.373038D+01
      3   0.148151D-01  0.330918D+01  0.345032D+01  0.373038D+01  0.109464D+01
                46            47            48            49            50 
      1   0.454433D+01 -0.286000D+01  0.179095D+01 -0.197127D+01 -0.165140D+01
      2  -0.286000D+01 -0.169759D+01  0.609856D+00 -0.165140D+01  0.724744D+01
      3   0.179095D+01  0.609856D+00 -0.140287D+01  0.275268D+00 -0.265250D+00
                51            52            53            54            55 
      1   0.275268D+00  0.146528D+01  0.248257D+00 -0.671559D+00  0.112195D+02
      2  -0.265250D+00  0.248257D+00  0.599885D+00 -0.225908D+01 -0.473335D+01
      3  -0.277278D+01 -0.671559D+00 -0.225908D+01 -0.560160D+01 -0.264312D+01
                56            57            58            59            60 
      1  -0.473335D+01 -0.264312D+01 -0.486647D+01  0.447655D+01  0.141770D+01
      2   0.276718D+01  0.130703D+01  0.447655D+01 -0.440962D+01 -0.198027D+01
      3   0.130703D+01  0.157776D+01  0.141770D+01 -0.198027D+01 -0.163750D+01
                61            62            63            64            65 
      1  -0.363577D+01  0.198776D+01  0.332660D+01  0.570911D+01  0.249622D+01
      2   0.198776D+01 -0.172770D+01 -0.265366D+01  0.249622D+01  0.206413D+01
      3   0.332660D+01 -0.265366D+01 -0.333508D+01 -0.241745D+01 -0.980046D+00
                66            67            68            69            70 
      1  -0.241745D+01  0.184473D+01  0.175498D+01 -0.598962D+00 -0.339823D+01
      2  -0.980046D+00  0.175498D+01  0.153024D+01 -0.983412D+00 -0.129345D+01
      3   0.183945D+01 -0.598962D+00 -0.983412D+00  0.102494D+01  0.246736D+01
                71            72            73            74            75 
      1  -0.129345D+01  0.246736D+01  0.859614D+00  0.162565D+01  0.108105D+01
      2  -0.155359D+01  0.176454D+01  0.162565D+01  0.567283D+00  0.528488D+00
      3   0.176454D+01 -0.255678D+01  0.108105D+01  0.528488D+00  0.108057D+01
                76            77            78            79            80 
      1   0.143713D+01  0.727779D+00  0.545122D+00  0.165611D+01  0.780090D+00
      2   0.727779D+00  0.232266D+01  0.198830D+01  0.780090D+00  0.322130D+01
      3   0.545122D+00  0.198830D+01  0.197486D+01  0.200950D+01  0.274861D+01
                81            82            83            84            85 
      1   0.200950D+01 -0.348979D+00 -0.531925D+00 -0.988821D+00 -0.888196D+00
      2   0.274861D+01 -0.531925D+00 -0.266812D+00  0.460926D-01 -0.537687D+00
      3   0.563969D+01 -0.988821D+00  0.460926D-01 -0.831101D+00 -0.225391D+00
                86            87            88            89            90 
      1  -0.537687D+00 -0.225391D+00 -0.146239D+01 -0.121856D+00 -0.122224D+01
      2   0.107125D+00 -0.117648D+01 -0.121856D+00 -0.125780D+01  0.201428D+00
      3  -0.117648D+01 -0.108356D+01 -0.122224D+01  0.201428D+00 -0.790014D+01
                91            92            93            94            95 
      1  -0.104181D+00  0.132198D+01  0.190730D+00  0.142926D+01 -0.927838D+00
      2   0.132198D+01 -0.693167D+00  0.464410D-01 -0.927838D+00  0.124030D+02
      3   0.190730D+00  0.464410D-01 -0.331606D+00  0.828351D-01 -0.117259D+01
                96            97            98            99           100 
      1   0.828351D-01  0.455094D+00 -0.167294D-01 -0.396431D+00 -0.947801D+01
      2  -0.117259D+01 -0.167294D-01  0.612704D-02  0.125525D+01  0.287525D+01
      3   0.890340D+00 -0.396431D+00  0.125525D+01 -0.773503D+00 -0.120973D+01
               101           102           103           104           105 
      1   0.287525D+01 -0.120973D+01  0.225155D+01 -0.208112D+01  0.182520D+00
      2  -0.222298D+01  0.278971D+00 -0.208112D+01  0.120697D+01 -0.389286D+00
      3   0.278971D+00 -0.100946D+01  0.182520D+00 -0.389286D+00  0.676577D+00
               106           107           108           109           110 
      1  -0.235239D+01  0.670717D+00 -0.142129D+01 -0.486798D+00  0.102455D+01
      2   0.670717D+00 -0.861569D+00  0.103021D+01  0.102455D+01  0.253782D+00
      3  -0.142129D+01  0.103021D+01 -0.357516D+00  0.879061D+00  0.153959D-01
               111           112           113           114           115 
      1   0.879061D+00  0.884560D+00 -0.140343D+00 -0.325434D+00  0.102094D+01
      2   0.153959D-01 -0.140343D+00  0.172033D+01  0.212432D+01 -0.265445D+00
      3   0.308410D+00 -0.325434D+00  0.212432D+01  0.231846D+01 -0.839757D+00
               116           117           118           119           120 
      1  -0.265445D+00 -0.839757D+00  0.464731D+01 -0.206488D+01  0.392606D+01
      2   0.269799D+01  0.297954D+01 -0.206488D+01 -0.392275D+00 -0.390054D+00
      3   0.297954D+01  0.769949D+01  0.392606D+01 -0.390054D+00 -0.153376D+01
               121           122           123           124           125 
      1  -0.289896D+01  0.331697D+00 -0.852953D+00  0.359601D+01 -0.504522D+00
      2   0.331697D+00  0.731584D+01 -0.265673D+00 -0.504522D+00 -0.123724D+01
      3  -0.852953D+00 -0.265673D+00 -0.254259D+01 -0.237663D+01 -0.284247D+01
               126           127           128           129           130 
      1  -0.237663D+01 -0.513282D+01 -0.203058D+01  0.321881D+01 -0.197646D+01
      2  -0.284247D+01 -0.203058D+01 -0.167000D+01  0.826428D+00 -0.181117D+01
      3  -0.397278D+00  0.321881D+01  0.826428D+00 -0.292260D+01  0.816449D+00
               131           132           133           134           135 
      1  -0.181117D+01  0.816449D+00  0.344904D+01  0.977743D+00 -0.322506D+01
      2  -0.111461D+01  0.136914D+01  0.977743D+00  0.139957D+01 -0.185678D+01
      3   0.136914D+01 -0.165220D+01 -0.322506D+01 -0.185678D+01  0.426846D+01
               136           137           138           139           140 
      1   0.260568D+00 -0.116217D+01 -0.123197D+00 -0.140899D+01  0.971584D+00
      2  -0.116217D+01  0.105265D+01 -0.281639D+00  0.971584D+00 -0.942426D+01
      3  -0.123197D+00 -0.281639D+00  0.265469D+00 -0.341544D+00  0.141224D+01
               141           142           143           144           145 
      1  -0.341544D+00 -0.399907D+00 -0.390799D-01  0.277972D+00 -0.338501D+00
      2   0.141224D+01 -0.390799D-01 -0.805865D-01 -0.106281D+01  0.559444D+00
      3  -0.119934D+01  0.277972D+00 -0.106281D+01  0.892860D+00  0.121547D+01
               146           147           148           149           150 
      1   0.559444D+00  0.121547D+01  0.120787D+01  0.404549D+00  0.139280D-01
      2   0.238058D+00 -0.121147D+00  0.404549D+00 -0.477256D-01  0.123872D+01
      3  -0.121147D+00  0.108934D+01  0.139280D-01  0.123872D+01  0.170900D+01
               151           152           153           154           155 
      1   0.148941D+01  0.906503D-01  0.884818D+00  0.207496D+01  0.832097D+00
      2   0.906503D-01  0.119456D+01  0.362025D+00  0.832097D+00  0.122571D+01
      3   0.884818D+00  0.362025D+00  0.939942D+01 -0.172069D+01  0.122936D+00
               156           157           158           159           160 
      1  -0.172069D+01  0.919295D+00  0.746152D+00 -0.575704D-01 -0.205011D+01
      2   0.122936D+00  0.746152D+00  0.112806D+00 -0.616989D+00 -0.240645D+00
      3   0.256296D+01 -0.575704D-01 -0.616989D+00  0.893980D+00  0.147590D+01
               161           162           163           164           165 
      1  -0.240645D+00  0.147590D+01 -0.836263D+01  0.403885D+00 -0.327982D+01
      2  -0.916651D+00  0.292823D+00  0.403885D+00 -0.137834D+01 -0.286962D-01
      3   0.292823D+00 -0.461907D+01 -0.327982D+01 -0.286962D-01 -0.222666D+01
               166           167           168           169           170 
      1   0.179268D+01 -0.113341D+01  0.781090D+00 -0.236321D+01  0.179601D+00
      2  -0.113341D+01 -0.259407D-01 -0.420875D+00  0.179601D+00 -0.213174D+00
      3   0.781090D+00 -0.420875D+00  0.104434D+01 -0.188002D+01  0.373292D+00
               171           172           173           174           175 
      1  -0.188002D+01 -0.803899D+00 -0.103432D+01 -0.484098D+00 -0.131996D+01
      2   0.373292D+00 -0.103432D+01 -0.190886D+00  0.515454D-01 -0.143215D+01
      3  -0.177947D+01 -0.484098D+00  0.515454D-01  0.202450D+00 -0.317676D+00
               176           177           178           179           180 
      1  -0.143215D+01 -0.317676D+00 -0.134689D+00  0.393989D-01  0.101290D+00
      2  -0.101932D+02 -0.110197D+01  0.393989D-01  0.278767D+00 -0.885180D+00
      3  -0.110197D+01 -0.129746D+01  0.101290D+00 -0.885180D+00  0.171885D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.846723D+01  0.102576D+02 -0.290783D+01  0.965446D+01 -0.804480D+00
      2  -0.883998D+01 -0.102887D+02 -0.130935D+01 -0.825260D+01  0.133506D+01
      3  -0.537261D+01 -0.866544D+01  0.316986D+01  0.109581D+01 -0.184409D+01
                 6             7             8             9            10 
      1   0.753339D+01 -0.887887D+00  0.158661D+02 -0.514336D+01 -0.765293D+01
      2  -0.969447D+00 -0.112093D+02 -0.312108D+01  0.124520D+02  0.890392D+01
      3  -0.822534D+01  0.234582D+00 -0.111447D+02  0.261438D+01  0.127285D+02
                11            12            13            14            15 
      1  -0.287886D+00  0.329498D+01 -0.330801D+01  0.123564D+01 -0.166785D+01
      2   0.123163D+01 -0.231985D+01  0.257961D+01 -0.248147D+01 -0.249222D+01
      3  -0.820174D+01  0.326199D+01 -0.323289D-01 -0.462229D+01  0.459616D+01
                16            17            18            19            20 
      1   0.316451D+01  0.918848D+01  0.704226D+01  0.533286D+01 -0.181501D+01
      2  -0.823724D+01 -0.443303D+01 -0.606048D+01 -0.139453D+01  0.185641D+01
      3   0.487620D+01  0.273099D+01 -0.845357D+00 -0.811009D+01  0.859908D+01
                21            22            23            24            25 
      1  -0.250704D+01  0.158459D+01  0.218373D+01 -0.703164D+01 -0.293163D+01
      2   0.360047D+00 -0.471186D+00  0.385410D+01 -0.105627D+01 -0.570426D+01
      3  -0.552552D+01  0.979990D+01  0.176123D+01 -0.192759D+01 -0.595492D+01
                26            27            28            29            30 
      1  -0.112270D+01 -0.129372D+02 -0.559534D+01  0.580869D+00  0.921786D+00
      2  -0.136748D+00  0.398256D+00 -0.103048D+02  0.135619D+01  0.273096D+01
      3  -0.131890D+01  0.365153D+01  0.568382D+00 -0.901582D+01  0.387343D+01
                31            32            33            34            35 
      1   0.862384D+00  0.361116D+01  0.145481D+01  0.464509D+00  0.785935D+01
      2   0.162298D+01  0.849489D+00  0.489910D+01 -0.413622D+01  0.586137D+01
      3  -0.216110D+01  0.751340D+01 -0.959542D-01  0.487537D+01 -0.131041D+01
                36            37            38            39            40 
      1   0.541883D+01 -0.746256D+00  0.455536D+00  0.799367D+00  0.139748D+01
      2   0.837973D+01  0.134038D+02 -0.115005D+01  0.197400D+01 -0.622413D+01
      3  -0.591982D+01  0.803993D+01 -0.532575D+01  0.262945D+01 -0.787178D+00
                41            42            43            44            45 
      1  -0.329606D+01 -0.146740D+01 -0.160521D+01  0.656927D+01  0.244499D+01
      2  -0.191608D+01 -0.334137D+01 -0.186773D+01 -0.426816D+01 -0.227317D+01
      3  -0.101881D+02  0.134345D+01  0.522408D+01  0.104142D+01  0.270616D+01
                46            47            48            49            50 
      1  -0.426147D+00 -0.402179D+01 -0.279789D+01 -0.388081D+01  0.852566D+01
      2  -0.839824D+01  0.492035D+01  0.998709D+00  0.598510D+01  0.167583D+01
      3  -0.367262D+01  0.423594D+01 -0.238297D+01  0.110492D+02 -0.218167D+01
                51            52            53            54            55 
      1  -0.902863D+01  0.642202D+00 -0.167856D+01 -0.856854D+01 -0.500737D+01
      2   0.227622D+01 -0.916078D+01  0.115721D+01 -0.260366D+01 -0.241416D+01
      3   0.162549D+01 -0.393406D+01  0.155199D+01  0.894199D+00  0.140593D+01
                56            57            58            59            60 
      1  -0.479430D+01  0.413312D+01 -0.207154D+01  0.197003D+00 -0.746635D+01
      2   0.468492D+01  0.935128D+01  0.406415D+01 -0.346697D+01 -0.330685D+01
      3  -0.770268D+01 -0.972578D+00  0.759460D+00  0.101810D+02  0.389024D+01
                61            62            63            64            65 
      1   0.915524D+00 -0.188388D+01 -0.229514D+00  0.332770D+01  0.127404D+01
      2   0.430259D+01 -0.606659D+00 -0.104181D+02 -0.232694D+01 -0.220550D+01
      3   0.119930D+01  0.826124D+01  0.786144D+00  0.521732D+01 -0.227581D+01
                66            67            68            69            70 
      1  -0.329581D+01  0.139439D+01  0.125885D+01 -0.261077D+01 -0.384154D+01
      2   0.463171D+01 -0.800831D+00 -0.116867D+01  0.200217D+01  0.238918D+01
      3  -0.179406D+01  0.174136D+01  0.658726D+00  0.134304D+00 -0.354034D+01
                71            72            73            74            75 
      1  -0.704490D+00  0.382620D+01 -0.167171D+01 -0.104710D+01 -0.208454D+01
      2   0.248079D+01 -0.475231D+01  0.141216D+01  0.905958D+00  0.299774D+01
      3   0.133687D+01  0.699938D+00 -0.101814D+01  0.111083D+01  0.936431D+00
                76            77            78            79            80 
      1  -0.758252D+00 -0.149413D+01 -0.373836D+01 -0.305428D+01 -0.407984D+01
      2   0.478085D+00  0.223293D+01  0.292231D+01  0.113629D+01  0.549369D+01
      3   0.262531D+01 -0.219833D+01 -0.194600D+01  0.236915D+01 -0.213516D+01
                81            82            83            84            85 
      1  -0.986756D+01  0.225949D+01  0.985148D+00  0.202171D+01  0.143929D+01
      2   0.963862D+01 -0.859442D-01 -0.567996D+00  0.487502D+00 -0.157720D+01
      3  -0.412189D-02 -0.735194D+00 -0.310774D+01 -0.184646D+01 -0.167168D+01
                86            87            88            89            90 
      1   0.382337D+01  0.305274D+01  0.268031D+01  0.428544D+01  0.160307D+02
      2  -0.812687D+00 -0.991614D-01 -0.352212D+01 -0.538699D+00  0.741698D+00
      3  -0.603933D+00 -0.331898D+00 -0.271576D+01 -0.842109D+00 -0.187020D+01
                91            92            93            94            95 
      1  -0.110540D+01  0.484884D+00  0.447891D+00 -0.381762D+00 -0.210676D+01
      2   0.493317D-01  0.386626D+00  0.115324D+01  0.180650D+01 -0.172122D+01
      3   0.228684D+00  0.104859D+01  0.900776D+00  0.679557D+01 -0.521562D-01
                96            97            98            99           100 
      1  -0.399327D+01  0.373528D+00 -0.115295D+01  0.156657D+01  0.333387D+01
      2  -0.268473D+00 -0.188832D+00 -0.655223D+00 -0.273709D+00  0.637036D+01
      3  -0.286959D+00  0.166849D+01 -0.525353D+00 -0.611408D+00 -0.803054D+01
               101           102           103           104           105 
      1  -0.116800D+01  0.215832D+01 -0.132386D+01  0.973410D+00 -0.202266D+01
      2  -0.206818D+01  0.499559D+01 -0.125275D+01  0.151371D+01 -0.187791D+01
      3  -0.360221D+01 -0.101504D+01  0.102970D+01 -0.266885D+00 -0.502152D+00
               106           107           108           109           110 
      1   0.213058D+01 -0.500590D+00  0.119872D+01 -0.501645D-01  0.574139D+00
      2   0.249258D+01 -0.227949D+01  0.181341D+01 -0.893146D+00 -0.746243D+00
      3  -0.256225D+01 -0.163467D+01  0.141647D+00  0.125493D+01  0.107849D+01
               111           112           113           114           115 
      1  -0.675249D+00  0.236292D+00 -0.516332D+00 -0.270171D+01  0.826937D+00
      2  -0.141275D+00 -0.733910D+00 -0.312113D+01 -0.330490D+01 -0.226657D+01
      3   0.910809D+00  0.278419D+01  0.206567D+01  0.274349D+01  0.175465D+01
               116           117           118           119           120 
      1   0.118678D+01 -0.816159D+01  0.913739D+01 -0.154259D+00 -0.261016D+01
      2  -0.422415D+01 -0.114537D+02 -0.277417D+01 -0.763997D+00  0.121551D+02
      3   0.404914D+01  0.324104D+01 -0.110027D+02  0.686382D-01 -0.722579D+01
               121           122           123           124           125 
      1  -0.288525D+01 -0.105092D+02 -0.739099D+01 -0.280736D+01 -0.156580D+01
      2  -0.957762D+00  0.938545D+00  0.409596D+01  0.717239D+01  0.495831D+01
      3   0.710736D+01  0.136320D+02  0.511357D+00 -0.643521D+01 -0.137441D+01
               126           127           128           129           130 
      1   0.368094D+01  0.186075D-01 -0.188844D+01 -0.117527D+01 -0.145416D+01
      2  -0.206984D+01  0.307245D+00  0.341057D+00  0.302616D+01  0.142335D+01
      3  -0.206913D+01  0.927978D+00 -0.320273D+01 -0.136961D+01  0.482756D+00
               131           132           133           134           135 
      1  -0.659545D+00 -0.133529D+01  0.149408D+00  0.170078D+01  0.818563D+00
      2  -0.318273D+00  0.245223D+01 -0.142576D+01  0.194873D+01 -0.368280D+01
      3  -0.790414D+00  0.153912D+01 -0.274704D+01  0.246176D+01 -0.313618D+00
               136           137           138           139           140 
      1  -0.782035D+00  0.633775D+00  0.194729D+00  0.433917D+00 -0.101107D+02
      2  -0.802339D+00  0.101246D+01  0.134246D+01  0.188666D+01 -0.881426D+00
      3  -0.119092D+01 -0.524593D+00  0.702248D+00  0.490039D+01  0.174262D+01
               141           142           143           144           145 
      1  -0.241904D+01  0.662602D+00 -0.333238D+00 -0.374927D+00  0.140974D+01
      2  -0.290176D+00 -0.432642D+00 -0.187864D+00 -0.181910D+00  0.107280D+01
      3   0.249855D+00  0.708841D+00  0.644765D+00  0.696191D-01  0.795469D+00
               146           147           148           149           150 
      1   0.372861D+00  0.250693D+01 -0.390665D+00  0.154441D+01  0.399058D+01
      2  -0.572666D+00 -0.135392D+01 -0.163022D+01 -0.189804D+00 -0.463132D+00
      3  -0.179951D+01 -0.192895D+01 -0.697387D-01 -0.383169D+00 -0.107562D+01
               151           152           153           154           155 
      1   0.838766D+00  0.439275D+01  0.124882D+02 -0.460554D+01 -0.320986D+01
      2  -0.345279D+01  0.320345D+00 -0.190030D+00  0.811259D+01  0.171481D+01
      3  -0.127720D+01 -0.479036D+00 -0.249734D+01 -0.201417D+01 -0.681132D+00
               156           157           158           159           160 
      1   0.402519D+01 -0.202332D+01 -0.277443D+01  0.159316D+01  0.360413D+01
      2  -0.592739D+01  0.218255D+01  0.263840D+01 -0.170621D+01 -0.844954D+01
      3   0.256177D+01  0.720758D+00 -0.767432D+00 -0.901450D+00  0.244657D+01
               161           162           163           164           165 
      1   0.410992D+01 -0.712326D+01 -0.556216D+01  0.250052D+01 -0.280303D+01
      2  -0.160628D+01  0.952420D+01 -0.320851D+01  0.100728D+01  0.332108D+01
      3  -0.411537D+00 -0.199616D+01  0.114754D+02 -0.607868D+01  0.406209D+01
               166           167           168           169           170 
      1   0.199844D+01 -0.101475D+01  0.102486D+01 -0.260106D+01  0.207524D+01
      2   0.760216D+00 -0.170751D+00 -0.173045D+01 -0.132011D+01 -0.692875D+00
      3  -0.351049D+01  0.208743D+01 -0.141733D+01  0.368667D+01 -0.126126D+01
               171           172           173           174           175 
      1  -0.275717D+01 -0.818506D-01  0.267274D+00  0.352787D+00  0.614436D+00
      2   0.211207D+01  0.672522D+00 -0.775341D+00 -0.151214D+00 -0.888619D+00
      3   0.320263D+01 -0.710306D+00  0.114889D+00  0.771186D+00  0.253469D+01
               176           177           178           179           180 
      1   0.965409D+01 -0.409813D+01  0.490723D+00 -0.284714D+00  0.928052D+00
      2   0.121041D+01  0.225858D+01 -0.131308D+01  0.131612D+01  0.381862D-01
      3  -0.165300D+02 -0.106163D+01  0.122874D+00  0.359326D+00 -0.188013D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.222736D+02  0.115836D+02 -0.152132D+01  0.198259D+02 -0.676801D+01
      2   0.838472D+01 -0.356745D+01 -0.360948D+01 -0.139101D+02  0.150006D+00
      3   0.138889D+02 -0.801615D+01  0.513080D+01 -0.591581D+01  0.661801D+01
      4   0.227373D+02 -0.123045D+02 -0.748125D+01 -0.157236D+02  0.879658D+00
      5   0.834170D+01 -0.526543D+01 -0.429167D+01 -0.780586D+01  0.521751D+01
      6  -0.399675D+01  0.710102D+01  0.304734D+01  0.936525D+00 -0.382731D+01
                 6             7             8             9            10 
      1  -0.772986D+01  0.133959D+02 -0.899836D+01 -0.243957D+01  0.114007D+01
      2   0.382680D+01 -0.649676D+01  0.174169D+01 -0.279112D+01 -0.391060D+01
      3   0.390306D+01 -0.689910D+01  0.725667D+01  0.523068D+01  0.277052D+01
      4   0.384492D+01 -0.121398D+02  0.105611D+02  0.925404D+01 -0.936665D+01
      5   0.766832D+01  0.170610D+01  0.486647D+01  0.123063D+02  0.981436D+01
      6  -0.774484D+01  0.327042D+01 -0.289964D+01  0.375989D+00  0.941777D+01
                11            12            13            14            15 
      1  -0.765102D+01  0.886019D+01 -0.750880D+01 -0.291808D+01  0.544636D+01
      2   0.423001D+01 -0.446060D+01  0.462385D+01  0.118830D+02 -0.334011D+01
      3   0.342101D+01 -0.439959D+01  0.288495D+01 -0.896494D+01 -0.210625D+01
      4  -0.971024D+01  0.787619D+01 -0.298093D+01 -0.681908D+00 -0.305076D+01
      5   0.532267D+01 -0.100318D+02  0.416538D+01 -0.193541D+01 -0.885006D+01
      6  -0.139224D+01 -0.762439D+01  0.108430D+01 -0.243701D+01 -0.594215D+01
                16            17            18            19            20 
      1   0.872032D+01  0.817908D+01 -0.327844D-01 -0.614282D+01 -0.150911D+01
      2  -0.422391D+01 -0.471414D+01 -0.179888D+01  0.847645D+01  0.332572D+01
      3  -0.449641D+01 -0.346494D+01  0.183167D+01 -0.233363D+01 -0.181660D+01
      4   0.953917D+01 -0.596688D+01 -0.186559D+02 -0.542225D+01  0.145885D+01
      5  -0.121841D+02 -0.124260D+02 -0.691296D+01  0.188434D+01 -0.136756D+01
      6  -0.985375D+01 -0.136486D+02 -0.129440D+02 -0.780532D+01  0.783748D-01
                21            22            23            24            25 
      1   0.211394D+01 -0.169200D+01  0.264473D+02  0.467975D+00  0.282735D+01
      2   0.122771D+00  0.475262D+01 -0.491148D+02  0.467333D+01  0.755308D+00
      3  -0.223671D+01 -0.306062D+01  0.226675D+02 -0.514130D+01 -0.358266D+01
      4  -0.436750D+01  0.484125D+01  0.103827D+02 -0.116138D+01 -0.479209D+01
      5  -0.105910D+01 -0.337698D+00 -0.705168D+00 -0.826280D+00  0.157313D+00
      6   0.489497D+01 -0.175577D+01  0.758371D+01  0.697643D+01  0.430125D+01
                26            27            28            29            30 
      1   0.857523D+00  0.443359D+01 -0.224070D+02  0.135769D+02 -0.946876D+01
      2  -0.258776D+00  0.123041D+02  0.458104D+01 -0.720753D+01  0.613000D+01
      3  -0.598748D+00 -0.167376D+02  0.178260D+02 -0.636940D+01  0.333876D+01
      4   0.959435D+00  0.266854D+01  0.206416D+02 -0.753401D+01  0.582164D+01
      5  -0.738112D+00 -0.507025D+01 -0.914309D+01  0.426154D+00  0.326182D+01
      6   0.721759D+01  0.165159D+02  0.355459D+01  0.616677D+00 -0.238196D+01
                31            32            33            34            35 
      1   0.104677D+02 -0.275569D+01  0.521431D+01 -0.117167D+02  0.613298D+01
      2  -0.575037D+01  0.887231D+01  0.137775D+01  0.595003D+01  0.316330D+01
      3  -0.471732D+01 -0.611662D+01 -0.659206D+01  0.576666D+01 -0.929628D+01
      4  -0.827243D+01 -0.769390D+01  0.119916D+01  0.921510D+01  0.310796D+01
      5  -0.118576D+00 -0.212474D+01  0.681678D+01  0.135991D+01  0.888704D+01
      6  -0.453369D+00 -0.204476D+01 -0.909565D+01  0.316038D+00 -0.970065D+01
                36            37            38            39            40 
      1   0.109320D+02  0.103936D+01 -0.821561D+01  0.130275D+02 -0.595994D+01
      2  -0.481284D+00  0.189861D+01  0.516522D+01 -0.951540D+01  0.419737D+01
      3  -0.104507D+02 -0.293797D+01  0.305039D+01 -0.351213D+01  0.176257D+01
      4   0.973980D+01 -0.626840D+01 -0.603879D+01  0.627201D+01 -0.740033D+01
      5   0.125739D+02  0.168851D+02  0.564055D+01 -0.145542D+02  0.293134D+01
      6  -0.195318D+02  0.934212D+01  0.520460D+00 -0.602574D+01  0.247536D+01
                41            42            43            44            45 
      1  -0.441698D+01 -0.759159D+00  0.113768D+02  0.195699D+01 -0.100608D+02
      2   0.596336D+01 -0.117147D+01 -0.885251D+01 -0.514961D+01  0.342558D+01
      3  -0.154639D+01  0.193063D+01 -0.252425D+01  0.319262D+01  0.663520D+01
      4   0.671999D+01  0.110741D+01  0.509240D+01 -0.198261D+01 -0.156963D+02
      5   0.371143D+01 -0.102160D+02 -0.157870D+02 -0.128131D+02  0.472692D+01
      6  -0.330114D+00 -0.661722D+01 -0.854218D+01 -0.594668D+01  0.231299D+01
                46            47            48            49            50 
      1  -0.917462D-01 -0.437593D+01  0.250320D+01 -0.170800D+01  0.132780D+02
      2  -0.607340D+00  0.588884D+01  0.359235D+01  0.348845D+01 -0.244640D+02
      3   0.699086D+00 -0.151291D+01 -0.609555D+01 -0.178044D+01  0.111860D+02
      4  -0.652002D+01  0.187385D+01 -0.108037D+01  0.301154D+01  0.772341D+01
      5  -0.305366D+01 -0.107137D+01  0.303890D+01 -0.108597D+01 -0.219742D+01
      6  -0.626647D+01 -0.373485D+01  0.247895D+01 -0.231020D+01  0.940910D+01
                51            52            53            54            55 
      1   0.571078D+01 -0.257853D+01  0.470042D+01  0.157038D+02  0.598899D+02
      2   0.698830D+01  0.213803D+01  0.203435D+01  0.128996D+02 -0.277471D+02
      3  -0.126991D+02  0.440494D+00 -0.673477D+01 -0.286034D+02 -0.321428D+02
      4  -0.285452D+00 -0.586832D+00 -0.444257D+00 -0.369560D+00 -0.346927D+02
      5   0.319650D+00  0.325408D+01 -0.551428D+00 -0.717991D+01 -0.131283D+02
      6   0.480554D+01  0.281194D+00  0.477376D+01  0.337727D+01  0.553429D+01
                56            57            58            59            60 
      1  -0.166169D+02 -0.804925D+01 -0.181881D+02  0.837887D+01  0.173013D+01
      2   0.451175D+01  0.687996D+01  0.490976D+01  0.536149D+01  0.199745D+00
      3   0.121051D+02  0.116929D+01  0.132783D+02 -0.137404D+02 -0.192988D+01
      4   0.260270D+02  0.755249D+01  0.306879D+02 -0.251185D+02 -0.807439D+01
      5   0.561672D+01  0.164073D+02  0.692651D+01 -0.683962D+01 -0.949780D+01
      6  -0.366897D+01 -0.635327D+01 -0.412779D+01  0.795343D+01  0.113689D+02
                61            62            63            64            65 
      1  -0.124408D+02  0.345608D+01  0.515090D+01  0.203807D+02  0.558641D+01
      2   0.940143D+01 -0.661923D+00 -0.846992D+01 -0.837218D+01  0.419068D+00
      3   0.303940D+01 -0.279416D+01  0.331903D+01 -0.120086D+02 -0.600547D+01
      4   0.119288D+02 -0.923399D+01 -0.128045D+02  0.230058D+02  0.152334D+02
      5   0.200976D+02 -0.113895D+02 -0.183478D+02 -0.133996D+02 -0.548412D+01
      6  -0.819942D+01  0.121563D+02  0.771948D+01 -0.768018D+01 -0.401634D+01
                66            67            68            69            70 
      1  -0.693018D+01  0.159481D+01  0.485621D+00  0.551858D+00 -0.789574D+01
      2   0.400218D+01  0.368298D+01  0.424711D+01 -0.263222D+01  0.504073D+01
      3   0.292801D+01 -0.527778D+01 -0.473274D+01  0.208037D+01  0.285501D+01
      4  -0.944328D+01  0.128576D+02  0.109929D+02 -0.552112D+01 -0.128680D+02
      5   0.106136D+02 -0.324713D+01 -0.474811D+01  0.390783D+01  0.129109D+02
      6   0.617679D+01 -0.385479D+01 -0.523598D+01  0.612698D+01  0.815137D+01
                71            72            73            74            75 
      1  -0.844323D+00  0.176353D+01  0.113459D+01  0.322562D+01  0.206606D+01
      2  -0.158442D+01 -0.352504D+01  0.174959D+00 -0.106757D+01 -0.187726D+01
      3   0.242875D+01  0.176151D+01 -0.130955D+01 -0.215805D+01 -0.188803D+00
      4  -0.866362D+01  0.111721D+02  0.748788D+01  0.763791D+01  0.546021D+01
      5   0.755764D+01 -0.120603D+02  0.550545D+01  0.287981D+01  0.760045D+01
      6   0.786477D+01 -0.825311D+01  0.445349D+01  0.282429D+01  0.397494D+01
                76            77            78            79            80 
      1   0.143407D+01 -0.609248D+01 -0.450400D+01  0.255488D+01 -0.678828D+01
      2   0.800400D+00  0.799085D+01  0.513028D+01 -0.234394D+01  0.621963D+01
      3  -0.223447D+01 -0.189837D+01 -0.626277D+00 -0.210940D+00  0.568659D+00
      4   0.689633D+01  0.928620D+01  0.756421D+01  0.770231D+01  0.126373D+02
      5   0.209829D+01  0.619514D+01  0.584324D+01  0.980373D+01  0.982181D+01
      6   0.347735D+01  0.102756D+02  0.111188D+02  0.744939D+01  0.148489D+02
                81            82            83            84            85 
      1  -0.692150D+01  0.147546D+01  0.517181D+00 -0.142283D+00  0.226412D+00
      2  -0.168754D+01 -0.503551D+01 -0.121087D+01 -0.122890D+01 -0.174586D+01
      3   0.860903D+01  0.356004D+01  0.693686D+00  0.137118D+01  0.151945D+01
      4   0.138817D+02 -0.694379D+00  0.175344D+01 -0.209450D+01 -0.319428D+00
      5   0.183176D+02  0.253097D+01  0.574760D+00  0.735625D+01  0.855413D+00
      6   0.217876D+02 -0.184989D+01  0.107467D+01 -0.260299D+01  0.700128D+00
                86            87            88            89            90 
      1  -0.331259D+01  0.373806D+00 -0.132523D+01  0.284356D+01 -0.161812D+02
      2   0.256603D+01 -0.521220D+01 -0.258159D+01 -0.423028D+01 -0.144050D+02
      3   0.746562D+00  0.483840D+01  0.390682D+01  0.138672D+01  0.305862D+02
      4  -0.457795D+00  0.128323D+01 -0.347986D+01  0.177692D+01 -0.182510D+01
      5   0.137860D+01  0.985526D+00  0.544600D+01  0.545551D-01  0.768401D+01
      6  -0.223618D+01  0.839916D+00 -0.310170D+01  0.560810D+01 -0.225288D+02
                91            92            93            94            95 
      1  -0.214137D+01  0.106838D+01 -0.303385D+00  0.242803D+01 -0.423084D+02
      2   0.693309D+01 -0.344164D+01  0.580370D-01 -0.485422D+01  0.756049D+02
      3  -0.479172D+01  0.237326D+01  0.245348D+00  0.242619D+01 -0.332966D+02
      4  -0.192880D+01  0.111051D+02 -0.436224D+00  0.906874D+01 -0.110272D+02
      5   0.430982D-01 -0.165997D+01  0.177010D+01 -0.134315D+01  0.206565D+01
      6  -0.135248D+00  0.436942D+00 -0.856078D+00  0.970335D+00 -0.130310D+02
                96            97            98            99           100 
      1   0.428433D+01 -0.281291D+00  0.717529D+00 -0.554328D+01  0.449332D+02
      2  -0.570092D+01 -0.409139D+00  0.703828D+00  0.557762D+01 -0.184799D+02
      3   0.141659D+01  0.690430D+00 -0.142136D+01 -0.343358D-01 -0.264533D+02
      4   0.916567D+00  0.800303D+00 -0.708771D-01 -0.140620D+01 -0.314207D+02
      5  -0.720823D+00  0.113017D+01 -0.804656D+00  0.657988D+00  0.327691D+01
      6   0.847021D+01 -0.141861D+01  0.999352D+01 -0.298577D+01 -0.929700D+00
               101           102           103           104           105 
      1  -0.104747D+02  0.542520D+01 -0.672516D+01  0.551442D+01 -0.931218D+00
      2   0.865473D+00 -0.219271D+01 -0.156086D+01  0.156158D+01 -0.949885D+00
      3   0.960925D+01 -0.323249D+01  0.828602D+01 -0.707599D+01  0.188110D+01
      4   0.170193D+02 -0.370877D+01  0.164750D+02 -0.105584D+02  0.225009D+01
      5  -0.520562D+00  0.675679D+01 -0.619966D+00  0.156817D+01 -0.232412D+01
      6  -0.127880D+00 -0.265492D+01  0.228780D+00 -0.894295D+00  0.330211D+01
               106           107           108           109           110 
      1   0.888830D+01 -0.235123D+01  0.363067D+01  0.115601D+01 -0.391757D+01
      2  -0.364224D+01 -0.129244D+01 -0.243144D+01 -0.136310D+01  0.247960D+01
      3  -0.524606D+01  0.364367D+01 -0.119923D+01  0.207085D+00  0.143797D+01
      4  -0.790729D+01  0.437616D+01 -0.568383D+01 -0.354403D+01  0.308168D+01
      5   0.847018D+01 -0.389639D+01  0.310304D+01 -0.200001D+01  0.181449D+01
      6  -0.358115D+01  0.368530D+01 -0.641555D+00  0.311271D+01  0.401261D+00
               111           112           113           114           115 
      1  -0.262851D+01 -0.188469D+01 -0.719425D+01 -0.639189D+01 -0.136787D+01
      2   0.138538D+01  0.100044D+01  0.522815D+01  0.363250D+01  0.195473D+01
      3   0.124313D+01  0.884242D+00  0.196610D+01  0.275938D+01 -0.586862D+00
      4   0.258450D+01  0.434589D+01 -0.453951D+01 -0.603929D+01  0.393604D+01
      5   0.447554D+01  0.221993D+01 -0.504259D+01 -0.553329D+01  0.689654D+01
      6   0.147927D+01 -0.151433D+01  0.108575D+02  0.137600D+02 -0.318218D+01
               116           117           118           119           120 
      1  -0.787257D+01 -0.155302D+02 -0.226617D+02  0.815080D+01 -0.223377D+02
      2   0.226092D+01 -0.808775D+01  0.231189D+02 -0.426749D+01  0.684293D+01
      3   0.561165D+01  0.236180D+02 -0.457195D+00 -0.388331D+01  0.154948D+02
      4  -0.791009D+01 -0.100030D+02  0.645856D+00  0.502975D+01 -0.513028D+01
      5  -0.826902D+01 -0.200013D+02 -0.205795D+02  0.434954D+01 -0.403440D+01
      6   0.143130D+02  0.257986D+02 -0.274578D+01  0.254974D+00  0.522949D+01
               121           122           123           124           125 
      1   0.134142D+02  0.140873D+02  0.107632D+01 -0.205489D+02 -0.193161D+01
      2  -0.101862D+02 -0.325756D+02 -0.586083D+01  0.750448D+01 -0.129961D+01
      3  -0.322801D+01  0.184883D+02  0.478451D+01  0.130444D+02  0.323123D+01
      4   0.384344D+01 -0.220137D+02  0.166281D+01 -0.461056D+01  0.438798D+01
      5   0.768289D+01  0.134441D+01  0.721775D+01 -0.182224D+01  0.864517D+01
      6   0.223537D+00 -0.776735D+01  0.676465D+01  0.680834D+01  0.694020D+01
               126           127           128           129           130 
      1   0.335571D+01  0.202005D+02  0.577626D+01 -0.103239D+02  0.434112D+01
      2   0.439695D+01 -0.143394D+02 -0.336084D+01  0.960706D+01 -0.119402D+01
      3  -0.775266D+01 -0.586116D+01 -0.241542D+01  0.716879D+00 -0.314710D+01
      4   0.135703D+02  0.145255D+02  0.101564D+02 -0.783135D+01  0.112890D+02
      5   0.526254D+01 -0.216417D+02 -0.653888D+01  0.182947D+02 -0.608821D+01
      6   0.442301D+01 -0.784564D+01 -0.419242D+01  0.699639D+01 -0.515767D+01
               131           132           133           134           135 
      1   0.207761D+01 -0.702002D+00 -0.813903D+01 -0.984359D+00  0.418358D+01
      2   0.196279D+00  0.357545D+00  0.100581D+02  0.253845D+01 -0.119322D+02
      3  -0.227388D+01  0.344457D+00 -0.191903D+01 -0.155409D+01  0.774863D+01
      4   0.784572D+01 -0.666419D+01 -0.836717D+01 -0.610002D+01  0.961812D+01
      5  -0.752120D+01  0.715501D+01  0.197373D+02  0.845395D+01 -0.220429D+02
      6  -0.599580D+01  0.818692D+01  0.749700D+01  0.727442D+01 -0.105796D+02
               136           137           138           139           140 
      1  -0.317515D+00  0.147772D+01 -0.812037D+00  0.121023D+01 -0.252854D+02
      2   0.419098D+01 -0.347225D+01  0.317298D+00 -0.255812D+01  0.411993D+02
      3  -0.387347D+01  0.199454D+01  0.494739D+00  0.134789D+01 -0.159139D+02
      4  -0.220819D+01  0.896266D+01 -0.115469D+01  0.680113D+01 -0.684142D+01
      5   0.705974D+00 -0.302205D+01  0.199680D+01 -0.242253D+01  0.275526D+01
      6  -0.182627D+01  0.194870D+01 -0.103861D+01  0.247500D+01 -0.182618D+02
               141           142           143           144           145 
      1   0.498142D+01 -0.669379D+00  0.108117D+01 -0.512062D+01 -0.561474D+00
      2  -0.447348D+01 -0.310144D+00  0.138164D+01  0.252759D+01 -0.475204D+01
      3  -0.507946D+00  0.979523D+00 -0.246281D+01  0.259303D+01  0.531352D+01
      4   0.149243D+01  0.187309D+00 -0.653774D+00 -0.810404D+00  0.960748D+00
      5  -0.122231D+01  0.770422D+00 -0.517788D+00  0.798978D+00  0.283008D+01
      6   0.904897D+01 -0.877598D+00  0.722324D+01 -0.316284D+01 -0.473409D+00
               146           147           148           149           150 
      1   0.815366D+00 -0.165442D+01  0.145008D+01 -0.416983D+01 -0.396205D+01
      2  -0.489469D+00 -0.270331D+01 -0.968563D+00 -0.179848D+00 -0.574745D+01
      3  -0.325896D+00  0.435773D+01 -0.481514D+00  0.434968D+01  0.970950D+01
      4   0.997414D+00 -0.180316D+01 -0.351868D+00 -0.872124D-01  0.792355D+00
      5   0.516547D+00  0.861017D+01  0.161597D+01  0.107155D+01  0.195773D+01
      6   0.114237D+01 -0.171537D+01  0.912466D+00 -0.345545D-01  0.404670D+01
               151           152           153           154           155 
      1   0.113178D+00  0.264250D+00 -0.262730D+02 -0.400237D+01 -0.742422D+00
      2  -0.260556D+01 -0.281873D+01 -0.216289D+02 -0.361718D+01 -0.120353D+01
      3   0.249238D+01  0.255448D+01  0.479019D+02  0.761955D+01  0.194595D+01
      4  -0.226546D+01  0.783153D+00 -0.134595D+01 -0.595276D+01 -0.250265D+01
      5   0.632894D+01  0.262370D+00  0.863174D+01 -0.236110D+01 -0.177624D+01
      6  -0.111710D+01  0.548752D+01 -0.120235D+02  0.181130D+01 -0.323658D+01
               156           157           158           159           160 
      1   0.106518D+02 -0.278467D+01 -0.483868D+01  0.718891D+00  0.939835D+01
      2   0.168890D+01  0.975461D+00  0.378169D+01  0.306875D+01  0.103324D+01
      3  -0.123407D+02  0.180921D+01  0.105699D+01 -0.378765D+01 -0.104316D+02
      4   0.355841D+01 -0.147369D+01  0.783222D-02  0.104835D+01  0.527828D+01
      5   0.952639D+00 -0.199009D+01 -0.440042D+00 -0.209238D+01  0.424560D+01
      6  -0.555597D+01 -0.169087D+01  0.354502D+00  0.148600D+01 -0.221103D+01
               161           162           163           164           165 
      1   0.436622D+00 -0.149622D+02  0.477352D+02 -0.420229D+01  0.138206D+02
      2   0.235344D+01 -0.883174D+01 -0.315251D+02  0.464709D+01 -0.124949D+02
      3  -0.279006D+01  0.237939D+02 -0.162101D+02 -0.444796D+00 -0.132571D+01
      4   0.211350D+01 -0.475457D+01  0.115697D+02  0.750957D+01  0.500917D+01
      5   0.948421D-02  0.382756D+01  0.285894D+02 -0.105570D+01  0.178242D+02
      6   0.351938D+01  0.788012D+01  0.279517D+01  0.384425D+01  0.299225D+01
               166           167           168           169           170 
      1  -0.104057D+02  0.419352D+01 -0.275786D+01  0.104634D+02 -0.237112D+00
      2   0.838991D+01 -0.661012D+00  0.407518D+01 -0.105342D+02  0.136120D+01
      3   0.201577D+01 -0.353251D+01 -0.131732D+01  0.707672D-01 -0.112408D+01
      4   0.485884D+01  0.720462D-01  0.166510D+01  0.362217D+01  0.139512D+01
      5  -0.627608D+01  0.352152D+01 -0.513818D+01  0.162262D+02 -0.177725D+01
      6   0.242639D+01 -0.446322D+00  0.617005D+00  0.212202D+01  0.148472D+01
               171           172           173           174           175 
      1   0.671698D+01  0.200610D+01  0.383241D+01  0.266072D+01  0.151198D+01
      2  -0.103572D+02  0.174485D+01 -0.119667D+01 -0.102305D+01  0.381213D+01
      3   0.364020D+01 -0.375095D+01 -0.263573D+01 -0.163767D+01 -0.532411D+01
      4   0.110975D+01  0.487315D+01  0.805987D+01  0.956684D+00  0.119141D+02
      5   0.120208D+02  0.261771D+01  0.118056D+01  0.163959D+01  0.283955D+01
      6   0.187792D+01  0.153320D+01  0.125300D+00 -0.461091D+00  0.267270D+01
               176           177           178           179           180 
      1  -0.229463D+02 -0.319143D+01  0.746387D+00 -0.991645D+00 -0.389072D+01
      2   0.494773D+02  0.250495D+01 -0.314788D+00 -0.212178D+01  0.421149D+01
      3  -0.265310D+02  0.686480D+00 -0.431599D+00  0.311342D+01 -0.320776D+00
      4   0.335381D+02  0.368804D+01 -0.284815D+00 -0.107256D+01  0.234098D+01
      5   0.272504D+01  0.454945D+01  0.162103D+01  0.305357D+01 -0.577956D+00
      6   0.166687D+02  0.910845D+01  0.316511D+00  0.762098D+01  0.114201D+01
 Leave Link  716 at Fri Jul 23 14:48:12 2021, MaxMem= 10737418240 cpu:               1.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.903686D+02 -0.157117D+01 -0.228192D+01
      2  -0.157117D+01  0.878161D+02  0.559923D+00
      3  -0.228192D+01  0.559923D+00  0.766277D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.969490D+00  0.356338D+01 -0.361439D+01
      2  -0.117809D+02  0.340737D+00 -0.167110D+02
      3   0.110570D+02  0.124997D+02  0.738908D+00
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.283389D+02 -0.196085D+02 -0.256852D+02
      2   0.162800D+02  0.203841D+02  0.143296D+01
      3   0.120589D+02 -0.775554D+00  0.242522D+02
      4  -0.340659D+01 -0.231911D+02 -0.867369D+00
      5  -0.229474D+02 -0.959752D+00 -0.341136D+02
      6   0.968570D+00 -0.314305D+01  0.875645D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.374642D+01  0.441236D+01  0.802938D+00  0.442895D+01 -0.164018D+01
      2   0.441236D+01 -0.187305D+00 -0.227465D+01 -0.164018D+01 -0.259817D+01
      3   0.802938D+00 -0.227465D+01  0.362897D+00 -0.189653D+01  0.154624D+01
                 6             7             8             9            10 
      1  -0.189653D+01  0.166816D+01 -0.251592D+01 -0.647702D-01  0.419643D+00
      2   0.154624D+01 -0.251592D+01  0.896893D+00  0.193971D+01 -0.395983D+01
      3   0.168954D+01 -0.647702D-01  0.193971D+01  0.117632D+01  0.262613D+01
                11            12            13            14            15 
      1  -0.395983D+01  0.262613D+01 -0.375260D+01  0.474574D+00  0.655952D+00
      2  -0.602294D+00  0.506350D+00  0.474574D+00  0.276006D+01 -0.145343D+01
      3   0.506350D+00 -0.269467D+01  0.655952D+00 -0.145343D+01 -0.248074D+01
                16            17            18            19            20 
      1   0.405880D+01  0.390883D+00 -0.315733D+01 -0.306267D+01  0.335020D+01
      2   0.390883D+00 -0.151339D+01 -0.354694D+01  0.335020D+01 -0.195790D+00
      3  -0.315733D+01 -0.354694D+01 -0.310688D+01 -0.192736D+01 -0.154817D+00
                21            22            23            24            25 
      1  -0.192736D+01  0.225210D+01  0.835596D+00 -0.100682D+00 -0.223330D+01
      2  -0.154817D+00  0.835596D+00 -0.830384D+01  0.492082D+00  0.252538D-01
      3   0.172649D+01 -0.100682D+00  0.492082D+00  0.200196D+01  0.185205D+01
                26            27            28            29            30 
      1   0.252538D-01  0.185205D+01  0.597784D+01 -0.362489D+01  0.287891D+01
      2  -0.477440D+00  0.205971D+01 -0.362489D+01  0.162607D+00 -0.432182D-01
      3   0.205971D+01  0.594152D+01  0.287891D+01 -0.432182D-01 -0.884440D+00
                31            32            33            34            35 
      1  -0.345726D+01 -0.174236D+00  0.859531D-01  0.399135D+01 -0.221152D+00
      2  -0.174236D+00  0.444335D+01 -0.359619D+00 -0.221152D+00 -0.723477D+00
      3   0.859531D-01 -0.359619D+00 -0.286701D+01 -0.590719D+00 -0.363060D+01
                36            37            38            39            40 
      1  -0.590719D+00 -0.384800D+01  0.310030D+01 -0.381582D+01  0.409203D+01
      2  -0.363060D+01  0.310030D+01  0.116605D+01 -0.652654D-01  0.806076D+00
      3  -0.570226D+01 -0.381582D+01 -0.652654D-01  0.282138D+01 -0.140066D+00
                41            42            43            44            45 
      1   0.806076D+00 -0.140066D+00 -0.482019D+01 -0.171556D+00  0.345032D+01
      2  -0.505249D+01  0.148151D-01 -0.171556D+00  0.267542D+00  0.373038D+01
      3   0.148151D-01  0.330918D+01  0.345032D+01  0.373038D+01  0.109464D+01
                46            47            48            49            50 
      1   0.454433D+01 -0.286000D+01  0.179095D+01 -0.197127D+01 -0.165140D+01
      2  -0.286000D+01 -0.169759D+01  0.609856D+00 -0.165140D+01  0.724744D+01
      3   0.179095D+01  0.609856D+00 -0.140287D+01  0.275268D+00 -0.265250D+00
                51            52            53            54            55 
      1   0.275268D+00  0.146528D+01  0.248257D+00 -0.671559D+00  0.112195D+02
      2  -0.265250D+00  0.248257D+00  0.599885D+00 -0.225908D+01 -0.473335D+01
      3  -0.277278D+01 -0.671559D+00 -0.225908D+01 -0.560160D+01 -0.264312D+01
                56            57            58            59            60 
      1  -0.473335D+01 -0.264312D+01 -0.486647D+01  0.447655D+01  0.141770D+01
      2   0.276718D+01  0.130703D+01  0.447655D+01 -0.440962D+01 -0.198027D+01
      3   0.130703D+01  0.157776D+01  0.141770D+01 -0.198027D+01 -0.163750D+01
                61            62            63            64            65 
      1  -0.363577D+01  0.198776D+01  0.332660D+01  0.570911D+01  0.249622D+01
      2   0.198776D+01 -0.172770D+01 -0.265366D+01  0.249622D+01  0.206413D+01
      3   0.332660D+01 -0.265366D+01 -0.333508D+01 -0.241745D+01 -0.980046D+00
                66            67            68            69            70 
      1  -0.241745D+01  0.184473D+01  0.175498D+01 -0.598962D+00 -0.339823D+01
      2  -0.980046D+00  0.175498D+01  0.153024D+01 -0.983412D+00 -0.129345D+01
      3   0.183945D+01 -0.598962D+00 -0.983412D+00  0.102494D+01  0.246736D+01
                71            72            73            74            75 
      1  -0.129345D+01  0.246736D+01  0.859614D+00  0.162565D+01  0.108105D+01
      2  -0.155359D+01  0.176454D+01  0.162565D+01  0.567283D+00  0.528488D+00
      3   0.176454D+01 -0.255678D+01  0.108105D+01  0.528488D+00  0.108057D+01
                76            77            78            79            80 
      1   0.143713D+01  0.727779D+00  0.545122D+00  0.165611D+01  0.780090D+00
      2   0.727779D+00  0.232266D+01  0.198830D+01  0.780090D+00  0.322130D+01
      3   0.545122D+00  0.198830D+01  0.197486D+01  0.200950D+01  0.274861D+01
                81            82            83            84            85 
      1   0.200950D+01 -0.348979D+00 -0.531925D+00 -0.988821D+00 -0.888196D+00
      2   0.274861D+01 -0.531925D+00 -0.266812D+00  0.460926D-01 -0.537687D+00
      3   0.563969D+01 -0.988821D+00  0.460926D-01 -0.831101D+00 -0.225391D+00
                86            87            88            89            90 
      1  -0.537687D+00 -0.225391D+00 -0.146239D+01 -0.121856D+00 -0.122224D+01
      2   0.107125D+00 -0.117648D+01 -0.121856D+00 -0.125780D+01  0.201428D+00
      3  -0.117648D+01 -0.108356D+01 -0.122224D+01  0.201428D+00 -0.790014D+01
                91            92            93            94            95 
      1  -0.104181D+00  0.132198D+01  0.190730D+00  0.142926D+01 -0.927838D+00
      2   0.132198D+01 -0.693167D+00  0.464410D-01 -0.927838D+00  0.124030D+02
      3   0.190730D+00  0.464410D-01 -0.331606D+00  0.828351D-01 -0.117259D+01
                96            97            98            99           100 
      1   0.828351D-01  0.455094D+00 -0.167294D-01 -0.396431D+00 -0.947801D+01
      2  -0.117259D+01 -0.167294D-01  0.612704D-02  0.125525D+01  0.287525D+01
      3   0.890340D+00 -0.396431D+00  0.125525D+01 -0.773503D+00 -0.120973D+01
               101           102           103           104           105 
      1   0.287525D+01 -0.120973D+01  0.225155D+01 -0.208112D+01  0.182520D+00
      2  -0.222298D+01  0.278971D+00 -0.208112D+01  0.120697D+01 -0.389286D+00
      3   0.278971D+00 -0.100946D+01  0.182520D+00 -0.389286D+00  0.676577D+00
               106           107           108           109           110 
      1  -0.235239D+01  0.670717D+00 -0.142129D+01 -0.486798D+00  0.102455D+01
      2   0.670717D+00 -0.861569D+00  0.103021D+01  0.102455D+01  0.253782D+00
      3  -0.142129D+01  0.103021D+01 -0.357516D+00  0.879061D+00  0.153959D-01
               111           112           113           114           115 
      1   0.879061D+00  0.884560D+00 -0.140343D+00 -0.325434D+00  0.102094D+01
      2   0.153959D-01 -0.140343D+00  0.172033D+01  0.212432D+01 -0.265445D+00
      3   0.308410D+00 -0.325434D+00  0.212432D+01  0.231846D+01 -0.839757D+00
               116           117           118           119           120 
      1  -0.265445D+00 -0.839757D+00  0.464731D+01 -0.206488D+01  0.392606D+01
      2   0.269799D+01  0.297954D+01 -0.206488D+01 -0.392275D+00 -0.390054D+00
      3   0.297954D+01  0.769949D+01  0.392606D+01 -0.390054D+00 -0.153376D+01
               121           122           123           124           125 
      1  -0.289896D+01  0.331697D+00 -0.852953D+00  0.359601D+01 -0.504522D+00
      2   0.331697D+00  0.731584D+01 -0.265673D+00 -0.504522D+00 -0.123724D+01
      3  -0.852953D+00 -0.265673D+00 -0.254259D+01 -0.237663D+01 -0.284247D+01
               126           127           128           129           130 
      1  -0.237663D+01 -0.513282D+01 -0.203058D+01  0.321881D+01 -0.197646D+01
      2  -0.284247D+01 -0.203058D+01 -0.167000D+01  0.826428D+00 -0.181117D+01
      3  -0.397278D+00  0.321881D+01  0.826428D+00 -0.292260D+01  0.816449D+00
               131           132           133           134           135 
      1  -0.181117D+01  0.816449D+00  0.344904D+01  0.977743D+00 -0.322506D+01
      2  -0.111461D+01  0.136914D+01  0.977743D+00  0.139957D+01 -0.185678D+01
      3   0.136914D+01 -0.165220D+01 -0.322506D+01 -0.185678D+01  0.426846D+01
               136           137           138           139           140 
      1   0.260568D+00 -0.116217D+01 -0.123197D+00 -0.140899D+01  0.971584D+00
      2  -0.116217D+01  0.105265D+01 -0.281639D+00  0.971584D+00 -0.942426D+01
      3  -0.123197D+00 -0.281639D+00  0.265469D+00 -0.341544D+00  0.141224D+01
               141           142           143           144           145 
      1  -0.341544D+00 -0.399907D+00 -0.390799D-01  0.277972D+00 -0.338501D+00
      2   0.141224D+01 -0.390799D-01 -0.805865D-01 -0.106281D+01  0.559444D+00
      3  -0.119934D+01  0.277972D+00 -0.106281D+01  0.892860D+00  0.121547D+01
               146           147           148           149           150 
      1   0.559444D+00  0.121547D+01  0.120787D+01  0.404549D+00  0.139280D-01
      2   0.238058D+00 -0.121147D+00  0.404549D+00 -0.477256D-01  0.123872D+01
      3  -0.121147D+00  0.108934D+01  0.139280D-01  0.123872D+01  0.170900D+01
               151           152           153           154           155 
      1   0.148941D+01  0.906503D-01  0.884818D+00  0.207496D+01  0.832097D+00
      2   0.906503D-01  0.119456D+01  0.362025D+00  0.832097D+00  0.122571D+01
      3   0.884818D+00  0.362025D+00  0.939942D+01 -0.172069D+01  0.122936D+00
               156           157           158           159           160 
      1  -0.172069D+01  0.919295D+00  0.746152D+00 -0.575704D-01 -0.205011D+01
      2   0.122936D+00  0.746152D+00  0.112806D+00 -0.616989D+00 -0.240645D+00
      3   0.256296D+01 -0.575704D-01 -0.616989D+00  0.893980D+00  0.147590D+01
               161           162           163           164           165 
      1  -0.240645D+00  0.147590D+01 -0.836263D+01  0.403885D+00 -0.327982D+01
      2  -0.916651D+00  0.292823D+00  0.403885D+00 -0.137834D+01 -0.286962D-01
      3   0.292823D+00 -0.461907D+01 -0.327982D+01 -0.286962D-01 -0.222666D+01
               166           167           168           169           170 
      1   0.179268D+01 -0.113341D+01  0.781090D+00 -0.236321D+01  0.179601D+00
      2  -0.113341D+01 -0.259407D-01 -0.420875D+00  0.179601D+00 -0.213174D+00
      3   0.781090D+00 -0.420875D+00  0.104434D+01 -0.188002D+01  0.373292D+00
               171           172           173           174           175 
      1  -0.188002D+01 -0.803899D+00 -0.103432D+01 -0.484098D+00 -0.131996D+01
      2   0.373292D+00 -0.103432D+01 -0.190886D+00  0.515454D-01 -0.143215D+01
      3  -0.177947D+01 -0.484098D+00  0.515454D-01  0.202450D+00 -0.317676D+00
               176           177           178           179           180 
      1  -0.143215D+01 -0.317676D+00 -0.134689D+00  0.393989D-01  0.101290D+00
      2  -0.101932D+02 -0.110197D+01  0.393989D-01  0.278767D+00 -0.885180D+00
      3  -0.110197D+01 -0.129746D+01  0.101290D+00 -0.885180D+00  0.171885D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.846723D+01  0.102576D+02 -0.290783D+01  0.965446D+01 -0.804480D+00
      2  -0.883998D+01 -0.102887D+02 -0.130935D+01 -0.825260D+01  0.133506D+01
      3  -0.537261D+01 -0.866544D+01  0.316986D+01  0.109581D+01 -0.184409D+01
                 6             7             8             9            10 
      1   0.753339D+01 -0.887887D+00  0.158661D+02 -0.514336D+01 -0.765293D+01
      2  -0.969447D+00 -0.112093D+02 -0.312108D+01  0.124520D+02  0.890392D+01
      3  -0.822534D+01  0.234582D+00 -0.111447D+02  0.261438D+01  0.127285D+02
                11            12            13            14            15 
      1  -0.287886D+00  0.329498D+01 -0.330801D+01  0.123564D+01 -0.166785D+01
      2   0.123163D+01 -0.231985D+01  0.257961D+01 -0.248147D+01 -0.249222D+01
      3  -0.820174D+01  0.326199D+01 -0.323289D-01 -0.462229D+01  0.459616D+01
                16            17            18            19            20 
      1   0.316451D+01  0.918848D+01  0.704226D+01  0.533286D+01 -0.181501D+01
      2  -0.823724D+01 -0.443303D+01 -0.606048D+01 -0.139453D+01  0.185641D+01
      3   0.487620D+01  0.273099D+01 -0.845357D+00 -0.811009D+01  0.859908D+01
                21            22            23            24            25 
      1  -0.250704D+01  0.158459D+01  0.218373D+01 -0.703164D+01 -0.293163D+01
      2   0.360047D+00 -0.471186D+00  0.385410D+01 -0.105627D+01 -0.570426D+01
      3  -0.552552D+01  0.979990D+01  0.176123D+01 -0.192759D+01 -0.595492D+01
                26            27            28            29            30 
      1  -0.112270D+01 -0.129372D+02 -0.559534D+01  0.580869D+00  0.921786D+00
      2  -0.136748D+00  0.398256D+00 -0.103048D+02  0.135619D+01  0.273096D+01
      3  -0.131890D+01  0.365153D+01  0.568382D+00 -0.901582D+01  0.387343D+01
                31            32            33            34            35 
      1   0.862384D+00  0.361116D+01  0.145481D+01  0.464509D+00  0.785935D+01
      2   0.162298D+01  0.849489D+00  0.489910D+01 -0.413622D+01  0.586137D+01
      3  -0.216110D+01  0.751340D+01 -0.959542D-01  0.487537D+01 -0.131041D+01
                36            37            38            39            40 
      1   0.541883D+01 -0.746256D+00  0.455536D+00  0.799367D+00  0.139748D+01
      2   0.837973D+01  0.134038D+02 -0.115005D+01  0.197400D+01 -0.622413D+01
      3  -0.591982D+01  0.803993D+01 -0.532575D+01  0.262945D+01 -0.787178D+00
                41            42            43            44            45 
      1  -0.329606D+01 -0.146740D+01 -0.160521D+01  0.656927D+01  0.244499D+01
      2  -0.191608D+01 -0.334137D+01 -0.186773D+01 -0.426816D+01 -0.227317D+01
      3  -0.101881D+02  0.134345D+01  0.522408D+01  0.104142D+01  0.270616D+01
                46            47            48            49            50 
      1  -0.426147D+00 -0.402179D+01 -0.279789D+01 -0.388081D+01  0.852566D+01
      2  -0.839824D+01  0.492035D+01  0.998709D+00  0.598510D+01  0.167583D+01
      3  -0.367262D+01  0.423594D+01 -0.238297D+01  0.110492D+02 -0.218167D+01
                51            52            53            54            55 
      1  -0.902863D+01  0.642202D+00 -0.167856D+01 -0.856854D+01 -0.500737D+01
      2   0.227622D+01 -0.916078D+01  0.115721D+01 -0.260366D+01 -0.241416D+01
      3   0.162549D+01 -0.393406D+01  0.155199D+01  0.894199D+00  0.140593D+01
                56            57            58            59            60 
      1  -0.479430D+01  0.413312D+01 -0.207154D+01  0.197003D+00 -0.746635D+01
      2   0.468492D+01  0.935128D+01  0.406415D+01 -0.346697D+01 -0.330685D+01
      3  -0.770268D+01 -0.972578D+00  0.759460D+00  0.101810D+02  0.389024D+01
                61            62            63            64            65 
      1   0.915524D+00 -0.188388D+01 -0.229514D+00  0.332770D+01  0.127404D+01
      2   0.430259D+01 -0.606659D+00 -0.104181D+02 -0.232694D+01 -0.220550D+01
      3   0.119930D+01  0.826124D+01  0.786144D+00  0.521732D+01 -0.227581D+01
                66            67            68            69            70 
      1  -0.329581D+01  0.139439D+01  0.125885D+01 -0.261077D+01 -0.384154D+01
      2   0.463171D+01 -0.800831D+00 -0.116867D+01  0.200217D+01  0.238918D+01
      3  -0.179406D+01  0.174136D+01  0.658726D+00  0.134304D+00 -0.354034D+01
                71            72            73            74            75 
      1  -0.704490D+00  0.382620D+01 -0.167171D+01 -0.104710D+01 -0.208454D+01
      2   0.248079D+01 -0.475231D+01  0.141216D+01  0.905958D+00  0.299774D+01
      3   0.133687D+01  0.699938D+00 -0.101814D+01  0.111083D+01  0.936431D+00
                76            77            78            79            80 
      1  -0.758252D+00 -0.149413D+01 -0.373836D+01 -0.305428D+01 -0.407984D+01
      2   0.478085D+00  0.223293D+01  0.292231D+01  0.113629D+01  0.549369D+01
      3   0.262531D+01 -0.219833D+01 -0.194600D+01  0.236915D+01 -0.213516D+01
                81            82            83            84            85 
      1  -0.986756D+01  0.225949D+01  0.985148D+00  0.202171D+01  0.143929D+01
      2   0.963862D+01 -0.859442D-01 -0.567996D+00  0.487502D+00 -0.157720D+01
      3  -0.412189D-02 -0.735194D+00 -0.310774D+01 -0.184646D+01 -0.167168D+01
                86            87            88            89            90 
      1   0.382337D+01  0.305274D+01  0.268031D+01  0.428544D+01  0.160307D+02
      2  -0.812687D+00 -0.991614D-01 -0.352212D+01 -0.538699D+00  0.741698D+00
      3  -0.603933D+00 -0.331898D+00 -0.271576D+01 -0.842109D+00 -0.187020D+01
                91            92            93            94            95 
      1  -0.110540D+01  0.484884D+00  0.447891D+00 -0.381762D+00 -0.210676D+01
      2   0.493317D-01  0.386626D+00  0.115324D+01  0.180650D+01 -0.172122D+01
      3   0.228684D+00  0.104859D+01  0.900776D+00  0.679557D+01 -0.521562D-01
                96            97            98            99           100 
      1  -0.399327D+01  0.373528D+00 -0.115295D+01  0.156657D+01  0.333387D+01
      2  -0.268473D+00 -0.188832D+00 -0.655223D+00 -0.273709D+00  0.637036D+01
      3  -0.286959D+00  0.166849D+01 -0.525353D+00 -0.611408D+00 -0.803054D+01
               101           102           103           104           105 
      1  -0.116800D+01  0.215832D+01 -0.132386D+01  0.973410D+00 -0.202266D+01
      2  -0.206818D+01  0.499559D+01 -0.125275D+01  0.151371D+01 -0.187791D+01
      3  -0.360221D+01 -0.101504D+01  0.102970D+01 -0.266885D+00 -0.502152D+00
               106           107           108           109           110 
      1   0.213058D+01 -0.500590D+00  0.119872D+01 -0.501645D-01  0.574139D+00
      2   0.249258D+01 -0.227949D+01  0.181341D+01 -0.893146D+00 -0.746243D+00
      3  -0.256225D+01 -0.163467D+01  0.141647D+00  0.125493D+01  0.107849D+01
               111           112           113           114           115 
      1  -0.675249D+00  0.236292D+00 -0.516332D+00 -0.270171D+01  0.826937D+00
      2  -0.141275D+00 -0.733910D+00 -0.312113D+01 -0.330490D+01 -0.226657D+01
      3   0.910809D+00  0.278419D+01  0.206567D+01  0.274349D+01  0.175465D+01
               116           117           118           119           120 
      1   0.118678D+01 -0.816159D+01  0.913739D+01 -0.154259D+00 -0.261016D+01
      2  -0.422415D+01 -0.114537D+02 -0.277417D+01 -0.763997D+00  0.121551D+02
      3   0.404914D+01  0.324104D+01 -0.110027D+02  0.686382D-01 -0.722579D+01
               121           122           123           124           125 
      1  -0.288525D+01 -0.105092D+02 -0.739099D+01 -0.280736D+01 -0.156580D+01
      2  -0.957762D+00  0.938545D+00  0.409596D+01  0.717239D+01  0.495831D+01
      3   0.710736D+01  0.136320D+02  0.511357D+00 -0.643521D+01 -0.137441D+01
               126           127           128           129           130 
      1   0.368094D+01  0.186075D-01 -0.188844D+01 -0.117527D+01 -0.145416D+01
      2  -0.206984D+01  0.307245D+00  0.341057D+00  0.302616D+01  0.142335D+01
      3  -0.206913D+01  0.927978D+00 -0.320273D+01 -0.136961D+01  0.482756D+00
               131           132           133           134           135 
      1  -0.659545D+00 -0.133529D+01  0.149408D+00  0.170078D+01  0.818563D+00
      2  -0.318273D+00  0.245223D+01 -0.142576D+01  0.194873D+01 -0.368280D+01
      3  -0.790414D+00  0.153912D+01 -0.274704D+01  0.246176D+01 -0.313618D+00
               136           137           138           139           140 
      1  -0.782035D+00  0.633775D+00  0.194729D+00  0.433917D+00 -0.101107D+02
      2  -0.802339D+00  0.101246D+01  0.134246D+01  0.188666D+01 -0.881426D+00
      3  -0.119092D+01 -0.524593D+00  0.702248D+00  0.490039D+01  0.174262D+01
               141           142           143           144           145 
      1  -0.241904D+01  0.662602D+00 -0.333238D+00 -0.374927D+00  0.140974D+01
      2  -0.290176D+00 -0.432642D+00 -0.187864D+00 -0.181910D+00  0.107280D+01
      3   0.249855D+00  0.708841D+00  0.644765D+00  0.696191D-01  0.795469D+00
               146           147           148           149           150 
      1   0.372861D+00  0.250693D+01 -0.390665D+00  0.154441D+01  0.399058D+01
      2  -0.572666D+00 -0.135392D+01 -0.163022D+01 -0.189804D+00 -0.463132D+00
      3  -0.179951D+01 -0.192895D+01 -0.697387D-01 -0.383169D+00 -0.107562D+01
               151           152           153           154           155 
      1   0.838766D+00  0.439275D+01  0.124882D+02 -0.460554D+01 -0.320986D+01
      2  -0.345279D+01  0.320345D+00 -0.190030D+00  0.811259D+01  0.171481D+01
      3  -0.127720D+01 -0.479036D+00 -0.249734D+01 -0.201417D+01 -0.681132D+00
               156           157           158           159           160 
      1   0.402519D+01 -0.202332D+01 -0.277443D+01  0.159316D+01  0.360413D+01
      2  -0.592739D+01  0.218255D+01  0.263840D+01 -0.170621D+01 -0.844954D+01
      3   0.256177D+01  0.720758D+00 -0.767432D+00 -0.901450D+00  0.244657D+01
               161           162           163           164           165 
      1   0.410992D+01 -0.712326D+01 -0.556216D+01  0.250052D+01 -0.280303D+01
      2  -0.160628D+01  0.952420D+01 -0.320851D+01  0.100728D+01  0.332108D+01
      3  -0.411537D+00 -0.199616D+01  0.114754D+02 -0.607868D+01  0.406209D+01
               166           167           168           169           170 
      1   0.199844D+01 -0.101475D+01  0.102486D+01 -0.260106D+01  0.207524D+01
      2   0.760216D+00 -0.170751D+00 -0.173045D+01 -0.132011D+01 -0.692875D+00
      3  -0.351049D+01  0.208743D+01 -0.141733D+01  0.368667D+01 -0.126126D+01
               171           172           173           174           175 
      1  -0.275717D+01 -0.818506D-01  0.267274D+00  0.352787D+00  0.614436D+00
      2   0.211207D+01  0.672522D+00 -0.775341D+00 -0.151214D+00 -0.888619D+00
      3   0.320263D+01 -0.710306D+00  0.114889D+00  0.771186D+00  0.253469D+01
               176           177           178           179           180 
      1   0.965409D+01 -0.409813D+01  0.490723D+00 -0.284714D+00  0.928052D+00
      2   0.121041D+01  0.225858D+01 -0.131308D+01  0.131612D+01  0.381862D-01
      3  -0.165300D+02 -0.106163D+01  0.122874D+00  0.359326D+00 -0.188013D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.222736D+02  0.115836D+02 -0.152132D+01  0.198259D+02 -0.676801D+01
      2   0.838472D+01 -0.356745D+01 -0.360948D+01 -0.139101D+02  0.150006D+00
      3   0.138889D+02 -0.801615D+01  0.513080D+01 -0.591581D+01  0.661801D+01
      4   0.227373D+02 -0.123045D+02 -0.748125D+01 -0.157236D+02  0.879658D+00
      5   0.834170D+01 -0.526543D+01 -0.429167D+01 -0.780586D+01  0.521751D+01
      6  -0.399675D+01  0.710102D+01  0.304734D+01  0.936525D+00 -0.382731D+01
                 6             7             8             9            10 
      1  -0.772986D+01  0.133959D+02 -0.899836D+01 -0.243957D+01  0.114007D+01
      2   0.382680D+01 -0.649676D+01  0.174169D+01 -0.279112D+01 -0.391060D+01
      3   0.390306D+01 -0.689910D+01  0.725667D+01  0.523068D+01  0.277052D+01
      4   0.384492D+01 -0.121398D+02  0.105611D+02  0.925404D+01 -0.936665D+01
      5   0.766832D+01  0.170610D+01  0.486647D+01  0.123063D+02  0.981436D+01
      6  -0.774484D+01  0.327042D+01 -0.289964D+01  0.375989D+00  0.941777D+01
                11            12            13            14            15 
      1  -0.765102D+01  0.886019D+01 -0.750880D+01 -0.291808D+01  0.544636D+01
      2   0.423001D+01 -0.446060D+01  0.462385D+01  0.118830D+02 -0.334011D+01
      3   0.342101D+01 -0.439959D+01  0.288495D+01 -0.896494D+01 -0.210625D+01
      4  -0.971024D+01  0.787619D+01 -0.298093D+01 -0.681908D+00 -0.305076D+01
      5   0.532267D+01 -0.100318D+02  0.416538D+01 -0.193541D+01 -0.885006D+01
      6  -0.139224D+01 -0.762439D+01  0.108430D+01 -0.243701D+01 -0.594215D+01
                16            17            18            19            20 
      1   0.872032D+01  0.817908D+01 -0.327844D-01 -0.614282D+01 -0.150911D+01
      2  -0.422391D+01 -0.471414D+01 -0.179888D+01  0.847645D+01  0.332572D+01
      3  -0.449641D+01 -0.346494D+01  0.183167D+01 -0.233363D+01 -0.181660D+01
      4   0.953917D+01 -0.596688D+01 -0.186559D+02 -0.542225D+01  0.145885D+01
      5  -0.121841D+02 -0.124260D+02 -0.691296D+01  0.188434D+01 -0.136756D+01
      6  -0.985375D+01 -0.136486D+02 -0.129440D+02 -0.780532D+01  0.783748D-01
                21            22            23            24            25 
      1   0.211394D+01 -0.169200D+01  0.264473D+02  0.467975D+00  0.282735D+01
      2   0.122771D+00  0.475262D+01 -0.491148D+02  0.467333D+01  0.755308D+00
      3  -0.223671D+01 -0.306062D+01  0.226675D+02 -0.514130D+01 -0.358266D+01
      4  -0.436750D+01  0.484125D+01  0.103827D+02 -0.116138D+01 -0.479209D+01
      5  -0.105910D+01 -0.337698D+00 -0.705168D+00 -0.826280D+00  0.157313D+00
      6   0.489497D+01 -0.175577D+01  0.758371D+01  0.697643D+01  0.430125D+01
                26            27            28            29            30 
      1   0.857523D+00  0.443359D+01 -0.224070D+02  0.135769D+02 -0.946876D+01
      2  -0.258776D+00  0.123041D+02  0.458104D+01 -0.720753D+01  0.613000D+01
      3  -0.598748D+00 -0.167376D+02  0.178260D+02 -0.636940D+01  0.333876D+01
      4   0.959435D+00  0.266854D+01  0.206416D+02 -0.753401D+01  0.582164D+01
      5  -0.738112D+00 -0.507025D+01 -0.914309D+01  0.426154D+00  0.326182D+01
      6   0.721759D+01  0.165159D+02  0.355459D+01  0.616677D+00 -0.238196D+01
                31            32            33            34            35 
      1   0.104677D+02 -0.275569D+01  0.521431D+01 -0.117167D+02  0.613298D+01
      2  -0.575037D+01  0.887231D+01  0.137775D+01  0.595003D+01  0.316330D+01
      3  -0.471732D+01 -0.611662D+01 -0.659206D+01  0.576666D+01 -0.929628D+01
      4  -0.827243D+01 -0.769390D+01  0.119916D+01  0.921510D+01  0.310796D+01
      5  -0.118576D+00 -0.212474D+01  0.681678D+01  0.135991D+01  0.888704D+01
      6  -0.453369D+00 -0.204476D+01 -0.909565D+01  0.316038D+00 -0.970065D+01
                36            37            38            39            40 
      1   0.109320D+02  0.103936D+01 -0.821561D+01  0.130275D+02 -0.595994D+01
      2  -0.481284D+00  0.189861D+01  0.516522D+01 -0.951540D+01  0.419737D+01
      3  -0.104507D+02 -0.293797D+01  0.305039D+01 -0.351213D+01  0.176257D+01
      4   0.973980D+01 -0.626840D+01 -0.603879D+01  0.627201D+01 -0.740033D+01
      5   0.125739D+02  0.168851D+02  0.564055D+01 -0.145542D+02  0.293134D+01
      6  -0.195318D+02  0.934212D+01  0.520460D+00 -0.602574D+01  0.247536D+01
                41            42            43            44            45 
      1  -0.441698D+01 -0.759159D+00  0.113768D+02  0.195699D+01 -0.100608D+02
      2   0.596336D+01 -0.117147D+01 -0.885251D+01 -0.514961D+01  0.342558D+01
      3  -0.154639D+01  0.193063D+01 -0.252425D+01  0.319262D+01  0.663520D+01
      4   0.671999D+01  0.110741D+01  0.509240D+01 -0.198261D+01 -0.156963D+02
      5   0.371143D+01 -0.102160D+02 -0.157870D+02 -0.128131D+02  0.472692D+01
      6  -0.330114D+00 -0.661722D+01 -0.854218D+01 -0.594668D+01  0.231299D+01
                46            47            48            49            50 
      1  -0.917462D-01 -0.437593D+01  0.250320D+01 -0.170800D+01  0.132780D+02
      2  -0.607340D+00  0.588884D+01  0.359235D+01  0.348845D+01 -0.244640D+02
      3   0.699086D+00 -0.151291D+01 -0.609555D+01 -0.178044D+01  0.111860D+02
      4  -0.652002D+01  0.187385D+01 -0.108037D+01  0.301154D+01  0.772341D+01
      5  -0.305366D+01 -0.107137D+01  0.303890D+01 -0.108597D+01 -0.219742D+01
      6  -0.626647D+01 -0.373485D+01  0.247895D+01 -0.231020D+01  0.940910D+01
                51            52            53            54            55 
      1   0.571078D+01 -0.257853D+01  0.470042D+01  0.157038D+02  0.598899D+02
      2   0.698830D+01  0.213803D+01  0.203435D+01  0.128996D+02 -0.277471D+02
      3  -0.126991D+02  0.440494D+00 -0.673477D+01 -0.286034D+02 -0.321428D+02
      4  -0.285452D+00 -0.586832D+00 -0.444257D+00 -0.369560D+00 -0.346927D+02
      5   0.319650D+00  0.325408D+01 -0.551428D+00 -0.717991D+01 -0.131283D+02
      6   0.480554D+01  0.281194D+00  0.477376D+01  0.337727D+01  0.553429D+01
                56            57            58            59            60 
      1  -0.166169D+02 -0.804925D+01 -0.181881D+02  0.837887D+01  0.173013D+01
      2   0.451175D+01  0.687996D+01  0.490976D+01  0.536149D+01  0.199745D+00
      3   0.121051D+02  0.116929D+01  0.132783D+02 -0.137404D+02 -0.192988D+01
      4   0.260270D+02  0.755249D+01  0.306879D+02 -0.251185D+02 -0.807439D+01
      5   0.561672D+01  0.164073D+02  0.692651D+01 -0.683962D+01 -0.949780D+01
      6  -0.366897D+01 -0.635327D+01 -0.412779D+01  0.795343D+01  0.113689D+02
                61            62            63            64            65 
      1  -0.124408D+02  0.345608D+01  0.515090D+01  0.203807D+02  0.558641D+01
      2   0.940143D+01 -0.661923D+00 -0.846992D+01 -0.837218D+01  0.419068D+00
      3   0.303940D+01 -0.279416D+01  0.331903D+01 -0.120086D+02 -0.600547D+01
      4   0.119288D+02 -0.923399D+01 -0.128045D+02  0.230058D+02  0.152334D+02
      5   0.200976D+02 -0.113895D+02 -0.183478D+02 -0.133996D+02 -0.548412D+01
      6  -0.819942D+01  0.121563D+02  0.771948D+01 -0.768018D+01 -0.401634D+01
                66            67            68            69            70 
      1  -0.693018D+01  0.159481D+01  0.485621D+00  0.551858D+00 -0.789574D+01
      2   0.400218D+01  0.368298D+01  0.424711D+01 -0.263222D+01  0.504073D+01
      3   0.292801D+01 -0.527778D+01 -0.473274D+01  0.208037D+01  0.285501D+01
      4  -0.944328D+01  0.128576D+02  0.109929D+02 -0.552112D+01 -0.128680D+02
      5   0.106136D+02 -0.324713D+01 -0.474811D+01  0.390783D+01  0.129109D+02
      6   0.617679D+01 -0.385479D+01 -0.523598D+01  0.612698D+01  0.815137D+01
                71            72            73            74            75 
      1  -0.844323D+00  0.176353D+01  0.113459D+01  0.322562D+01  0.206606D+01
      2  -0.158442D+01 -0.352504D+01  0.174959D+00 -0.106757D+01 -0.187726D+01
      3   0.242875D+01  0.176151D+01 -0.130955D+01 -0.215805D+01 -0.188803D+00
      4  -0.866362D+01  0.111721D+02  0.748788D+01  0.763791D+01  0.546021D+01
      5   0.755764D+01 -0.120603D+02  0.550545D+01  0.287981D+01  0.760045D+01
      6   0.786477D+01 -0.825311D+01  0.445349D+01  0.282429D+01  0.397494D+01
                76            77            78            79            80 
      1   0.143407D+01 -0.609248D+01 -0.450400D+01  0.255488D+01 -0.678828D+01
      2   0.800400D+00  0.799085D+01  0.513028D+01 -0.234394D+01  0.621963D+01
      3  -0.223447D+01 -0.189837D+01 -0.626277D+00 -0.210940D+00  0.568659D+00
      4   0.689633D+01  0.928620D+01  0.756421D+01  0.770231D+01  0.126373D+02
      5   0.209829D+01  0.619514D+01  0.584324D+01  0.980373D+01  0.982181D+01
      6   0.347735D+01  0.102756D+02  0.111188D+02  0.744939D+01  0.148489D+02
                81            82            83            84            85 
      1  -0.692150D+01  0.147546D+01  0.517181D+00 -0.142283D+00  0.226412D+00
      2  -0.168754D+01 -0.503551D+01 -0.121087D+01 -0.122890D+01 -0.174586D+01
      3   0.860903D+01  0.356004D+01  0.693686D+00  0.137118D+01  0.151945D+01
      4   0.138817D+02 -0.694379D+00  0.175344D+01 -0.209450D+01 -0.319428D+00
      5   0.183176D+02  0.253097D+01  0.574760D+00  0.735625D+01  0.855413D+00
      6   0.217876D+02 -0.184989D+01  0.107467D+01 -0.260299D+01  0.700128D+00
                86            87            88            89            90 
      1  -0.331259D+01  0.373806D+00 -0.132523D+01  0.284356D+01 -0.161812D+02
      2   0.256603D+01 -0.521220D+01 -0.258159D+01 -0.423028D+01 -0.144050D+02
      3   0.746562D+00  0.483840D+01  0.390682D+01  0.138672D+01  0.305862D+02
      4  -0.457795D+00  0.128323D+01 -0.347986D+01  0.177692D+01 -0.182510D+01
      5   0.137860D+01  0.985526D+00  0.544600D+01  0.545551D-01  0.768401D+01
      6  -0.223618D+01  0.839916D+00 -0.310170D+01  0.560810D+01 -0.225288D+02
                91            92            93            94            95 
      1  -0.214137D+01  0.106838D+01 -0.303385D+00  0.242803D+01 -0.423084D+02
      2   0.693309D+01 -0.344164D+01  0.580370D-01 -0.485422D+01  0.756049D+02
      3  -0.479172D+01  0.237326D+01  0.245348D+00  0.242619D+01 -0.332966D+02
      4  -0.192880D+01  0.111051D+02 -0.436224D+00  0.906874D+01 -0.110272D+02
      5   0.430982D-01 -0.165997D+01  0.177010D+01 -0.134315D+01  0.206565D+01
      6  -0.135248D+00  0.436942D+00 -0.856078D+00  0.970335D+00 -0.130310D+02
                96            97            98            99           100 
      1   0.428433D+01 -0.281291D+00  0.717529D+00 -0.554328D+01  0.449332D+02
      2  -0.570092D+01 -0.409139D+00  0.703828D+00  0.557762D+01 -0.184799D+02
      3   0.141659D+01  0.690430D+00 -0.142136D+01 -0.343358D-01 -0.264533D+02
      4   0.916567D+00  0.800303D+00 -0.708771D-01 -0.140620D+01 -0.314207D+02
      5  -0.720823D+00  0.113017D+01 -0.804656D+00  0.657988D+00  0.327691D+01
      6   0.847021D+01 -0.141861D+01  0.999352D+01 -0.298577D+01 -0.929700D+00
               101           102           103           104           105 
      1  -0.104747D+02  0.542520D+01 -0.672516D+01  0.551442D+01 -0.931218D+00
      2   0.865473D+00 -0.219271D+01 -0.156086D+01  0.156158D+01 -0.949885D+00
      3   0.960925D+01 -0.323249D+01  0.828602D+01 -0.707599D+01  0.188110D+01
      4   0.170193D+02 -0.370877D+01  0.164750D+02 -0.105584D+02  0.225009D+01
      5  -0.520562D+00  0.675679D+01 -0.619966D+00  0.156817D+01 -0.232412D+01
      6  -0.127880D+00 -0.265492D+01  0.228780D+00 -0.894295D+00  0.330211D+01
               106           107           108           109           110 
      1   0.888830D+01 -0.235123D+01  0.363067D+01  0.115601D+01 -0.391757D+01
      2  -0.364224D+01 -0.129244D+01 -0.243144D+01 -0.136310D+01  0.247960D+01
      3  -0.524606D+01  0.364367D+01 -0.119923D+01  0.207085D+00  0.143797D+01
      4  -0.790729D+01  0.437616D+01 -0.568383D+01 -0.354403D+01  0.308168D+01
      5   0.847018D+01 -0.389639D+01  0.310304D+01 -0.200001D+01  0.181449D+01
      6  -0.358115D+01  0.368530D+01 -0.641555D+00  0.311271D+01  0.401261D+00
               111           112           113           114           115 
      1  -0.262851D+01 -0.188469D+01 -0.719425D+01 -0.639189D+01 -0.136787D+01
      2   0.138538D+01  0.100044D+01  0.522815D+01  0.363250D+01  0.195473D+01
      3   0.124313D+01  0.884242D+00  0.196610D+01  0.275938D+01 -0.586862D+00
      4   0.258450D+01  0.434589D+01 -0.453951D+01 -0.603929D+01  0.393604D+01
      5   0.447554D+01  0.221993D+01 -0.504259D+01 -0.553329D+01  0.689654D+01
      6   0.147927D+01 -0.151433D+01  0.108575D+02  0.137600D+02 -0.318218D+01
               116           117           118           119           120 
      1  -0.787257D+01 -0.155302D+02 -0.226617D+02  0.815080D+01 -0.223377D+02
      2   0.226092D+01 -0.808775D+01  0.231189D+02 -0.426749D+01  0.684293D+01
      3   0.561165D+01  0.236180D+02 -0.457195D+00 -0.388331D+01  0.154948D+02
      4  -0.791009D+01 -0.100030D+02  0.645856D+00  0.502975D+01 -0.513028D+01
      5  -0.826902D+01 -0.200013D+02 -0.205795D+02  0.434954D+01 -0.403440D+01
      6   0.143130D+02  0.257986D+02 -0.274578D+01  0.254974D+00  0.522949D+01
               121           122           123           124           125 
      1   0.134142D+02  0.140873D+02  0.107632D+01 -0.205489D+02 -0.193161D+01
      2  -0.101862D+02 -0.325756D+02 -0.586083D+01  0.750448D+01 -0.129961D+01
      3  -0.322801D+01  0.184883D+02  0.478451D+01  0.130444D+02  0.323123D+01
      4   0.384344D+01 -0.220137D+02  0.166281D+01 -0.461056D+01  0.438798D+01
      5   0.768289D+01  0.134441D+01  0.721775D+01 -0.182224D+01  0.864517D+01
      6   0.223537D+00 -0.776735D+01  0.676465D+01  0.680834D+01  0.694020D+01
               126           127           128           129           130 
      1   0.335571D+01  0.202005D+02  0.577626D+01 -0.103239D+02  0.434112D+01
      2   0.439695D+01 -0.143394D+02 -0.336084D+01  0.960706D+01 -0.119402D+01
      3  -0.775266D+01 -0.586116D+01 -0.241542D+01  0.716879D+00 -0.314710D+01
      4   0.135703D+02  0.145255D+02  0.101564D+02 -0.783135D+01  0.112890D+02
      5   0.526254D+01 -0.216417D+02 -0.653888D+01  0.182947D+02 -0.608821D+01
      6   0.442301D+01 -0.784564D+01 -0.419242D+01  0.699639D+01 -0.515767D+01
               131           132           133           134           135 
      1   0.207761D+01 -0.702002D+00 -0.813903D+01 -0.984359D+00  0.418358D+01
      2   0.196279D+00  0.357545D+00  0.100581D+02  0.253845D+01 -0.119322D+02
      3  -0.227388D+01  0.344457D+00 -0.191903D+01 -0.155409D+01  0.774863D+01
      4   0.784572D+01 -0.666419D+01 -0.836717D+01 -0.610002D+01  0.961812D+01
      5  -0.752120D+01  0.715501D+01  0.197373D+02  0.845395D+01 -0.220429D+02
      6  -0.599580D+01  0.818692D+01  0.749700D+01  0.727442D+01 -0.105796D+02
               136           137           138           139           140 
      1  -0.317515D+00  0.147772D+01 -0.812037D+00  0.121023D+01 -0.252854D+02
      2   0.419098D+01 -0.347225D+01  0.317298D+00 -0.255812D+01  0.411993D+02
      3  -0.387347D+01  0.199454D+01  0.494739D+00  0.134789D+01 -0.159139D+02
      4  -0.220819D+01  0.896266D+01 -0.115469D+01  0.680113D+01 -0.684142D+01
      5   0.705974D+00 -0.302205D+01  0.199680D+01 -0.242253D+01  0.275526D+01
      6  -0.182627D+01  0.194870D+01 -0.103861D+01  0.247500D+01 -0.182618D+02
               141           142           143           144           145 
      1   0.498142D+01 -0.669379D+00  0.108117D+01 -0.512062D+01 -0.561474D+00
      2  -0.447348D+01 -0.310144D+00  0.138164D+01  0.252759D+01 -0.475204D+01
      3  -0.507946D+00  0.979523D+00 -0.246281D+01  0.259303D+01  0.531352D+01
      4   0.149243D+01  0.187309D+00 -0.653774D+00 -0.810404D+00  0.960748D+00
      5  -0.122231D+01  0.770422D+00 -0.517788D+00  0.798978D+00  0.283008D+01
      6   0.904897D+01 -0.877598D+00  0.722324D+01 -0.316284D+01 -0.473409D+00
               146           147           148           149           150 
      1   0.815366D+00 -0.165442D+01  0.145008D+01 -0.416983D+01 -0.396205D+01
      2  -0.489469D+00 -0.270331D+01 -0.968563D+00 -0.179848D+00 -0.574745D+01
      3  -0.325896D+00  0.435773D+01 -0.481514D+00  0.434968D+01  0.970950D+01
      4   0.997414D+00 -0.180316D+01 -0.351868D+00 -0.872124D-01  0.792355D+00
      5   0.516547D+00  0.861017D+01  0.161597D+01  0.107155D+01  0.195773D+01
      6   0.114237D+01 -0.171537D+01  0.912466D+00 -0.345545D-01  0.404670D+01
               151           152           153           154           155 
      1   0.113178D+00  0.264250D+00 -0.262730D+02 -0.400237D+01 -0.742422D+00
      2  -0.260556D+01 -0.281873D+01 -0.216289D+02 -0.361718D+01 -0.120353D+01
      3   0.249238D+01  0.255448D+01  0.479019D+02  0.761955D+01  0.194595D+01
      4  -0.226546D+01  0.783153D+00 -0.134595D+01 -0.595276D+01 -0.250265D+01
      5   0.632894D+01  0.262370D+00  0.863174D+01 -0.236110D+01 -0.177624D+01
      6  -0.111710D+01  0.548752D+01 -0.120235D+02  0.181130D+01 -0.323658D+01
               156           157           158           159           160 
      1   0.106518D+02 -0.278467D+01 -0.483868D+01  0.718891D+00  0.939835D+01
      2   0.168890D+01  0.975461D+00  0.378169D+01  0.306875D+01  0.103324D+01
      3  -0.123407D+02  0.180921D+01  0.105699D+01 -0.378765D+01 -0.104316D+02
      4   0.355841D+01 -0.147369D+01  0.783222D-02  0.104835D+01  0.527828D+01
      5   0.952639D+00 -0.199009D+01 -0.440042D+00 -0.209238D+01  0.424560D+01
      6  -0.555597D+01 -0.169087D+01  0.354502D+00  0.148600D+01 -0.221103D+01
               161           162           163           164           165 
      1   0.436622D+00 -0.149622D+02  0.477352D+02 -0.420229D+01  0.138206D+02
      2   0.235344D+01 -0.883174D+01 -0.315251D+02  0.464709D+01 -0.124949D+02
      3  -0.279006D+01  0.237939D+02 -0.162101D+02 -0.444796D+00 -0.132571D+01
      4   0.211350D+01 -0.475457D+01  0.115697D+02  0.750957D+01  0.500917D+01
      5   0.948421D-02  0.382756D+01  0.285894D+02 -0.105570D+01  0.178242D+02
      6   0.351938D+01  0.788012D+01  0.279517D+01  0.384425D+01  0.299225D+01
               166           167           168           169           170 
      1  -0.104057D+02  0.419352D+01 -0.275786D+01  0.104634D+02 -0.237112D+00
      2   0.838991D+01 -0.661012D+00  0.407518D+01 -0.105342D+02  0.136120D+01
      3   0.201577D+01 -0.353251D+01 -0.131732D+01  0.707672D-01 -0.112408D+01
      4   0.485884D+01  0.720462D-01  0.166510D+01  0.362217D+01  0.139512D+01
      5  -0.627608D+01  0.352152D+01 -0.513818D+01  0.162262D+02 -0.177725D+01
      6   0.242639D+01 -0.446322D+00  0.617005D+00  0.212202D+01  0.148472D+01
               171           172           173           174           175 
      1   0.671698D+01  0.200610D+01  0.383241D+01  0.266072D+01  0.151198D+01
      2  -0.103572D+02  0.174485D+01 -0.119667D+01 -0.102305D+01  0.381213D+01
      3   0.364020D+01 -0.375095D+01 -0.263573D+01 -0.163767D+01 -0.532411D+01
      4   0.110975D+01  0.487315D+01  0.805987D+01  0.956684D+00  0.119141D+02
      5   0.120208D+02  0.261771D+01  0.118056D+01  0.163959D+01  0.283955D+01
      6   0.187792D+01  0.153320D+01  0.125300D+00 -0.461091D+00  0.267270D+01
               176           177           178           179           180 
      1  -0.229463D+02 -0.319143D+01  0.746387D+00 -0.991645D+00 -0.389072D+01
      2   0.494773D+02  0.250495D+01 -0.314788D+00 -0.212178D+01  0.421149D+01
      3  -0.265310D+02  0.686480D+00 -0.431599D+00  0.311342D+01 -0.320776D+00
      4   0.335381D+02  0.368804D+01 -0.284815D+00 -0.107256D+01  0.234098D+01
      5   0.272504D+01  0.454945D+01  0.162103D+01  0.305357D+01 -0.577956D+00
      6   0.166687D+02  0.910845D+01  0.316511D+00  0.762098D+01  0.114201D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.130410D+01      0.331469D+01      0.110566D+02
   x         -0.102319D+01     -0.260068D+01     -0.867494D+01
   y          0.647983D+00      0.164701D+01      0.549383D+01
   z          0.483614D+00      0.122922D+01      0.410025D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.814059D+02      0.120631D+02      0.134220D+02
   aniso      0.127783D+02      0.189355D+01      0.210685D+01
   xx         0.863494D+02      0.127957D+02      0.142371D+02
   yx        -0.104942D+01     -0.155509D+00     -0.173027D+00
   yy         0.845157D+02      0.125239D+02      0.139348D+02
   zx        -0.193893D+01     -0.287320D+00     -0.319687D+00
   zy         0.293359D+00      0.434713D-01      0.483684D-01
   zz         0.733527D+02      0.108698D+02      0.120942D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.849375D+02      0.125864D+02      0.140043D+02
   aniso      0.135728D+02      0.201128D+01      0.223785D+01
   xx         0.903686D+02      0.133912D+02      0.148998D+02
   yx        -0.157117D+01     -0.232823D+00     -0.259051D+00
   yy         0.878161D+02      0.130130D+02      0.144789D+02
   zx        -0.228192D+01     -0.338146D+00     -0.376238D+00
   zy         0.559923D+00      0.829720D-01      0.923188D-01
   zz         0.766277D+02      0.113551D+02      0.126342D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.31995535          0.11008730         -2.11060588
     6          1.84263234          2.50472097         -0.63005441
     6         -0.04258463          2.84197498          1.55392716
     6         -0.21654866          0.46075033          3.18084895
     6         -0.88084855         -1.90126013          1.63091891
     6          1.05624842         -2.25554022         -0.51876698
     8          1.11292954          0.09261262         -4.38743087
     1          1.82350490          4.10364108         -1.92636991
     1          3.75399859          2.33996985          0.15341856
     1         -1.89984722          3.30447612          0.77908998
     1          0.52165459          4.45520983          2.70970982
     1         -1.61855586          0.72753580          4.67359822
     1          1.60017961          0.15352772          4.12344464
     6         -3.57737787         -1.82182635          0.59113052
     1         -0.73686767         -3.54289162          2.87853827
     1          0.55110110         -3.82818113         -1.74874708
     1          2.91210222         -2.65662609          0.30790623
     1         -3.83603400         -0.29675280         -0.77353237
     1         -4.94469776         -1.54936504          2.11201673
     1         -4.03883873         -3.58488625         -0.37401979

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.130410D+01      0.331469D+01      0.110566D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.130410D+01      0.331469D+01      0.110566D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.814059D+02      0.120631D+02      0.134220D+02
   aniso      0.127783D+02      0.189355D+01      0.210685D+01
   xx         0.763263D+02      0.113104D+02      0.125845D+02
   yx         0.432569D+01      0.641001D+00      0.713210D+00
   yy         0.817275D+02      0.121108D+02      0.134750D+02
   zx        -0.315101D+01     -0.466932D+00     -0.519532D+00
   zy         0.123097D+01      0.182411D+00      0.202959D+00
   zz         0.861640D+02      0.127682D+02      0.142065D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.849375D+02      0.125864D+02      0.140043D+02
   aniso      0.135728D+02      0.201128D+01      0.223785D+01
   xx         0.794882D+02      0.117789D+02      0.131058D+02
   yx         0.432151D+01      0.640382D+00      0.712521D+00
   yy         0.847162D+02      0.125536D+02      0.139678D+02
   zx        -0.322243D+01     -0.477515D+00     -0.531307D+00
   zy         0.118252D+01      0.175232D+00      0.194972D+00
   zz         0.906080D+02      0.134267D+02      0.149392D+02

 ----------------------------------------------------------------------
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 TRUTH, IN SCIENCE, CAN BE DEFINED AS THE WORKING HYPOTHESIS 
 BEST FITTED TO OPEN THE WAY TO THE NEXT BETTER ONE.

                              -- KONRAD LORENZ
 Job cpu time:       0 days  3 hours 40 minutes 51.3 seconds.
 Elapsed time:       0 days  0 hours 13 minutes 50.3 seconds.
 File lengths (MBytes):  RWF=    223 Int=      0 D2E=      0 Chk=      9 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 23 14:48:13 2021.
